3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol

C14H19Cl2NO — CID 58954803

IUPAC3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCC(CN)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NO/c1-13(18)5-2-6-14(8-13,9-17)10-3-4-11(15)12(16)7-10/h3-4,7,18H,2,5-6,8-9,17H2,1H3
InChIKeyNAENGEZVKXADGC-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.51
Rot. Bonds2

About 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol

3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol (PubChem CID 58954803) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
PubChem CID58954803
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCC(CN)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2NO/c1-13(18)5-2-6-14(8-13,9-17)10-3-4-11(15)12(16)7-10/h3-4,7,18H,2,5-6,8-9,17H2,1H3
InChIKeyNAENGEZVKXADGC-UHFFFAOYSA-N
XLogP3.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
4-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl)-1-methylcyclohexanol
CID 58954867
4-(Aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
CID 58954945
4-(3,4-Dichlorophenyl)-1-methyl-4-(methylaminomethyl)cyclohexan-1-ol
CID 68673707
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
CID 24730055
3-(Aminomethyl)-3-(3,4-dichlorophenyl)cyclopentanol
CID 58954822
3-(Aminomethyl)-3-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 58954826
(2-(3,4-Dichlorophenyl)-2-((ethylamino)methyl)-cyclohexyl)methanol
CID 58954861
4-(3,4-Dichlorophenyl)-4-(methylaminomethyl)cyclohexan-1-ol
CID 58954896
trans-(1R,2S)-2-(aminomethyl)-2-(3,4-dichlorophenyl)cyclohexan-1-ol
CID 58954899
3-(3,4-Dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol
CID 58954919
[2-(3,4-Dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol
CID 58954967

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol (CID 58954803) is 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol is CC1(O)CCCC(CN)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol?
The InChIKey is NAENGEZVKXADGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-13(18)5-2-6-14(8-13,9-17)10-3-4-11(15)12(16)7-10/h3-4,7,18H,2,5-6,8-9,17H2,1H3.
What are the key properties of 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol?
3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 58954803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).