1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine

C14H20ClNO — CID 82298649

IUPAC1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
SMILESCNC1(c2ccc(OC)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H20ClNO/c1-16-14(8-4-3-5-9-14)11-6-7-13(17-2)12(15)10-11/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyAZKRADJKCFHRCA-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.73
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine

1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine (PubChem CID 82298649) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
PubChem CID82298649
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
SMILESCNC1(c2ccc(OC)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H20ClNO/c1-16-14(8-4-3-5-9-14)11-6-7-13(17-2)12(15)10-11/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyAZKRADJKCFHRCA-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine
CID 82295969
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
CID 82129814
methyl 1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963848
1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 83707869
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100767724
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842813

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine (CID 82298649) is 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine is CNC1(c2ccc(OC)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine?
The InChIKey is AZKRADJKCFHRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-14(8-4-3-5-9-14)11-6-7-13(17-2)12(15)10-11/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine?
1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 82298649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).