(3-chlorophenyl)-(2-methylcyclopentyl)methanamine

C13H18ClN — CID 107187965

IUPAC(3-chlorophenyl)-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1C(N)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-9-4-2-7-12(9)13(15)10-5-3-6-11(14)8-10/h3,5-6,8-9,12-13H,2,4,7,15H2,1H3
InChIKeyMVUCDYYKULBZJQ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.78
Rot. Bonds2

About (3-chlorophenyl)-(2-methylcyclopentyl)methanamine

(3-chlorophenyl)-(2-methylcyclopentyl)methanamine (PubChem CID 107187965) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-methylcyclopentyl)methanamine
PubChem CID107187965
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(3-chlorophenyl)-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1C(N)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-9-4-2-7-12(9)13(15)10-5-3-6-11(14)8-10/h3,5-6,8-9,12-13H,2,4,7,15H2,1H3
InChIKeyMVUCDYYKULBZJQ-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107188498
2-(3-chlorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107179608
(3-chlorophenyl)-(2-ethylcyclopropyl)methanamine
CID 127013676
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
(2-aminocyclopentyl)-(3-chlorophenyl)methanol
CID 82391580
(2-methylcyclopentyl)-thiophen-3-ylmethanamine
CID 107189168
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028
1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine
CID 130854534

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-methylcyclopentyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(2-methylcyclopentyl)methanamine (CID 107187965) is (3-chlorophenyl)-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(2-methylcyclopentyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(2-methylcyclopentyl)methanamine is CC1CCCC1C(N)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(2-methylcyclopentyl)methanamine?
The InChIKey is MVUCDYYKULBZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-4-2-7-12(9)13(15)10-5-3-6-11(14)8-10/h3,5-6,8-9,12-13H,2,4,7,15H2,1H3.
What are the key properties of (3-chlorophenyl)-(2-methylcyclopentyl)methanamine?
(3-chlorophenyl)-(2-methylcyclopentyl)methanamine has a molecular weight of 223.75 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107187965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).