(2-chloro-4-methylphenyl)-cycloheptylmethanamine

C15H22ClN — CID 106858433

IUPAC(2-chloro-4-methylphenyl)-cycloheptylmethanamine
SMILESCc1ccc(C(N)C2CCCCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClN/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12,15H,2-7,17H2,1H3
InChIKeyNTACJMJTTKTMOM-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.62
Rot. Bonds2

About (2-chloro-4-methylphenyl)-cycloheptylmethanamine

(2-chloro-4-methylphenyl)-cycloheptylmethanamine (PubChem CID 106858433) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-cycloheptylmethanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-cycloheptylmethanamine
PubChem CID106858433
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name(2-chloro-4-methylphenyl)-cycloheptylmethanamine
SMILESCc1ccc(C(N)C2CCCCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClN/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12,15H,2-7,17H2,1H3
InChIKeyNTACJMJTTKTMOM-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
(2-bromo-4-methylphenyl)-cyclohexylmethanamine
CID 114981605
(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212641
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-cycloheptylmethanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-cycloheptylmethanamine (CID 106858433) is (2-chloro-4-methylphenyl)-cycloheptylmethanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-cycloheptylmethanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-cycloheptylmethanamine is Cc1ccc(C(N)C2CCCCCC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-cycloheptylmethanamine?
The InChIKey is NTACJMJTTKTMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12,15H,2-7,17H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-cycloheptylmethanamine?
(2-chloro-4-methylphenyl)-cycloheptylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-cycloheptylmethanamine is sourced from PubChem (CID 106858433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).