N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline

C14H21ClN2 — CID 113445292

IUPACN-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
SMILESCc1ccc(NC2(CN)CCCC2C)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-10-5-6-12(8-13(10)15)17-14(9-16)7-3-4-11(14)2/h5-6,8,11,17H,3-4,7,9,16H2,1-2H3
InChIKeyGKJDVPQEWFVTIH-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline

N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline (PubChem CID 113445292) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
PubChem CID113445292
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
SMILESCc1ccc(NC2(CN)CCCC2C)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-10-5-6-12(8-13(10)15)17-14(9-16)7-3-4-11(14)2/h5-6,8,11,17H,3-4,7,9,16H2,1-2H3
InChIKeyGKJDVPQEWFVTIH-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
CID 65376853
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
CID 104721790
N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
CID 104721710
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
CID 104721739
1-N-[1-(aminomethyl)-2-methylcyclohexyl]-4-nitrobenzene-1,3-diamine
CID 106749960
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-4-bromo-3-chloroaniline
CID 107619544
3-(aminomethyl)-N-(3-chloro-4-methylphenyl)thiolan-3-amine
CID 104721792
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide
CID 115308945
[2-methyl-1-(4-methylanilino)cyclopentyl]methanol
CID 65049776
5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-2-carbonitrile
CID 115490464

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline (CID 113445292) is N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline is Cc1ccc(NC2(CN)CCCC2C)cc1Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline?
The InChIKey is GKJDVPQEWFVTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-5-6-12(8-13(10)15)17-14(9-16)7-3-4-11(14)2/h5-6,8,11,17H,3-4,7,9,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline?
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline has a molecular weight of 252.79 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline is sourced from PubChem (CID 113445292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).