1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride

C16H26ClNO — CID 22883942

IUPAC1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1cccc([C@@H]2CCCC[C@@H]2CN(C)C)c1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3;/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1
InChIKeyPIWJOWRKZFCXSQ-XMZRARIVSA-N
MW283.84 g/mol
LogP3.95
Rot. Bonds4

About 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride

1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 22883942) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID22883942
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1cccc([C@@H]2CCCC[C@@H]2CN(C)C)c1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3;/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1
InChIKeyPIWJOWRKZFCXSQ-XMZRARIVSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
cis-(3R,4R)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohexan-1-one
CID 142655738
3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane
CID 142251041
3-[(1S,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol
CID 161332431
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
(E)-4-[3-[2-[(dimethylamino)methyl]cyclohexyl]phenoxy]-4-oxobut-2-enoic acid
CID 67132875
1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine
CID 69223517
[3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenyl] 2-methylpropyl carbonate
CID 22883940
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine
CID 10469444
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride (CID 22883942) is 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride is COc1cccc([C@@H]2CCCC[C@@H]2CN(C)C)c1.Cl.
What is the InChIKey of 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is PIWJOWRKZFCXSQ-XMZRARIVSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3;/h6,8-9,11,14,16H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1.
What are the key properties of 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride?
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 22883942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).