[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine

C15H22ClN — CID 107561112

IUPAC[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
SMILESCc1ccc(C2CCCCCC2CN)cc1Cl
InChIInChI=1S/C15H22ClN/c1-11-7-8-12(9-15(11)16)14-6-4-2-3-5-13(14)10-17/h7-9,13-14H,2-6,10,17H2,1H3
InChIKeyKCDQWOUREXHCMW-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.27
Rot. Bonds2

About [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine

[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine (PubChem CID 107561112) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
PubChem CID107561112
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
SMILESCc1ccc(C2CCCCCC2CN)cc1Cl
InChIInChI=1S/C15H22ClN/c1-11-7-8-12(9-15(11)16)14-6-4-2-3-5-13(14)10-17/h7-9,13-14H,2-6,10,17H2,1H3
InChIKeyKCDQWOUREXHCMW-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine
CID 107561109
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
1-chloro-2-(3-chloro-4-methylphenyl)cycloheptane
CID 107560894
2-(3-chloro-4-methylphenyl)cyclopentan-1-amine
CID 103852573
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
CID 81011540
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
[2-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 106818587
[2-(2,4-dimethylphenyl)cycloheptyl]methanamine
CID 81011171
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
CID 107561131
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine?
The IUPAC name of [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine (CID 107561112) is [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine is Cc1ccc(C2CCCCCC2CN)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine?
The InChIKey is KCDQWOUREXHCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11-7-8-12(9-15(11)16)14-6-4-2-3-5-13(14)10-17/h7-9,13-14H,2-6,10,17H2,1H3.
What are the key properties of [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine?
[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine has a molecular weight of 251.80 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine is sourced from PubChem (CID 107561112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).