cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol

C28H38Cl4N2O2 — CID 161309621

IUPACcis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol
SMILESCNC[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@@H](O)C1.CNC[C@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H](O)C1
InChIInChI=1S/2C14H19Cl2NO/c2*1-17-9-14(6-2-3-11(18)8-14)10-4-5-12(15)13(16)7-10/h2*4-5,7,11,17-18H,2-3,6,8-9H2,1H3/t2*11-,14-/m10/s1
InChIKeyVISCCROMXSFWIN-BISGTOTLSA-N
MW576.44 g/mol
LogP6.77
Rot. Bonds6

About cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol

cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 161309621) has the molecular formula C28H38Cl4N2O2 and a molecular weight of 576.44 g/mol. Its IUPAC name is cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol
PubChem CID161309621
Molecular FormulaC28H38Cl4N2O2
Molecular Weight576.44 g/mol
Exact Mass574.17
IUPAC Namecis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol
SMILESCNC[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@@H](O)C1.CNC[C@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H](O)C1
InChIInChI=1S/2C14H19Cl2NO/c2*1-17-9-14(6-2-3-11(18)8-14)10-4-5-12(15)13(16)7-10/h2*4-5,7,11,17-18H,2-3,6,8-9H2,1H3/t2*11-,14-/m10/s1
InChIKeyVISCCROMXSFWIN-BISGTOTLSA-N
XLogP6.77
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.44
LogP ≤ 56.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol with MolForge

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Related Compounds

3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol
CID 123858531
cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 157186066
trans-(1S,3R)-3-(3,4-dichlorophenyl)-1-methyl-3-(methylaminomethyl)cyclohexan-1-ol
CID 122473356
2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 58954975
trans-(1S,3R)-3-(3,4-dichlorophenyl)-3-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 69454668
trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
CID 68674581
[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
CID 58566857
1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine
CID 69131262
1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine;1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine
CID 158997057
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62594601

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol (CID 161309621) is cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol is CNC[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@@H](O)C1.CNC[C@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is VISCCROMXSFWIN-BISGTOTLSA-N. The full InChI is InChI=1S/2C14H19Cl2NO/c2*1-17-9-14(6-2-3-11(18)8-14)10-4-5-12(15)13(16)7-10/h2*4-5,7,11,17-18H,2-3,6,8-9H2,1H3/t2*11-,14-/m10/s1.
What are the key properties of cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol?
cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 576.44 g/mol, XLogP of 6.77, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 161309621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).