2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline

C14H21ClN2 — CID 117384952

IUPAC2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1cccc(Cl)c1C1(CN)CCCC1
InChIInChI=1S/C14H21ClN2/c1-17(2)12-7-5-6-11(15)13(12)14(10-16)8-3-4-9-14/h5-7H,3-4,8-10,16H2,1-2H3
InChIKeyFWUQFWZXCKMFAR-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.18
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline

2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline (PubChem CID 117384952) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
PubChem CID117384952
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1cccc(Cl)c1C1(CN)CCCC1
InChIInChI=1S/C14H21ClN2/c1-17(2)12-7-5-6-11(15)13(12)14(10-16)8-3-4-9-14/h5-7H,3-4,8-10,16H2,1-2H3
InChIKeyFWUQFWZXCKMFAR-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117452732
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(5-chloro-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117387219
[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 117112223
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline (CID 117384952) is 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline is CN(C)c1cccc(Cl)c1C1(CN)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline?
The InChIKey is FWUQFWZXCKMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17(2)12-7-5-6-11(15)13(12)14(10-16)8-3-4-9-14/h5-7H,3-4,8-10,16H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline?
2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline has a molecular weight of 252.79 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline is sourced from PubChem (CID 117384952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).