cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride

C16H26ClNO2 — CID 70600998

IUPACcis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1cccc(C([C@H]2CCCC[C@H]2O)N(C)C)c1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-17(2)16(14-9-4-5-10-15(14)18)12-7-6-8-13(11-12)19-3;/h6-8,11,14-16,18H,4-5,9-10H2,1-3H3;1H/t14-,15+,16?;/m0./s1
InChIKeyHLSQAVWZAHBXIH-NKZKTGFWSA-N
MW299.84 g/mol
LogP3.27
Rot. Bonds4

About cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride

cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 70600998) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
PubChem CID70600998
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Namecis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1cccc(C([C@H]2CCCC[C@H]2O)N(C)C)c1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-17(2)16(14-9-4-5-10-15(14)18)12-7-6-8-13(11-12)19-3;/h6-8,11,14-16,18H,4-5,9-10H2,1-3H3;1H/t14-,15+,16?;/m0./s1
InChIKeyHLSQAVWZAHBXIH-NKZKTGFWSA-N
XLogP3.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 54144230
3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol
CID 54374840
2-[(3-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 21317833
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 60714933
3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907348
2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 13055743
N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177820
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride (CID 70600998) is cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride is COc1cccc(C([C@H]2CCCC[C@H]2O)N(C)C)c1.Cl.
What is the InChIKey of cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is HLSQAVWZAHBXIH-NKZKTGFWSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-17(2)16(14-9-4-5-10-15(14)18)12-7-6-8-13(11-12)19-3;/h6-8,11,14-16,18H,4-5,9-10H2,1-3H3;1H/t14-,15+,16?;/m0./s1.
What are the key properties of cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride?
cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 70600998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).