[1-(4-chlorophenyl)cycloheptyl]methanamine

C14H20ClN — CID 28937852

IUPAC[1-(4-chlorophenyl)cycloheptyl]methanamine
SMILESNCC1(c2ccc(Cl)cc2)CCCCCC1
InChIInChI=1S/C14H20ClN/c15-13-7-5-12(6-8-13)14(11-16)9-3-1-2-4-10-14/h5-8H,1-4,9-11,16H2
InChIKeyMNSFBTRZICJZAR-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.89
Rot. Bonds2

About [1-(4-chlorophenyl)cycloheptyl]methanamine

[1-(4-chlorophenyl)cycloheptyl]methanamine (PubChem CID 28937852) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cycloheptyl]methanamine
PubChem CID28937852
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name[1-(4-chlorophenyl)cycloheptyl]methanamine
SMILESNCC1(c2ccc(Cl)cc2)CCCCCC1
InChIInChI=1S/C14H20ClN/c15-13-7-5-12(6-8-13)14(11-16)9-3-1-2-4-10-14/h5-8H,1-4,9-11,16H2
InChIKeyMNSFBTRZICJZAR-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane
CID 143339018
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-(4-chlorophenyl)cyclopent-3-en-1-yl]methanamine
CID 65353191
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
[4-[1-(aminomethyl)cyclohexyl]phenyl]boronic acid
CID 82070647
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102
[1-(6-chloro-3-pyridinyl)cyclopentyl]methanamine
CID 96865672
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cycloheptyl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)cycloheptyl]methanamine (CID 28937852) is [1-(4-chlorophenyl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)cycloheptyl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)cycloheptyl]methanamine is NCC1(c2ccc(Cl)cc2)CCCCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cycloheptyl]methanamine?
The InChIKey is MNSFBTRZICJZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c15-13-7-5-12(6-8-13)14(11-16)9-3-1-2-4-10-14/h5-8H,1-4,9-11,16H2.
What are the key properties of [1-(4-chlorophenyl)cycloheptyl]methanamine?
[1-(4-chlorophenyl)cycloheptyl]methanamine has a molecular weight of 237.77 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cycloheptyl]methanamine is sourced from PubChem (CID 28937852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).