2-chloro-N-(1-cyclopentylethyl)-6-methylaniline

C14H20ClN — CID 66252662

IUPAC2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
SMILESCc1cccc(Cl)c1NC(C)C1CCCC1
InChIInChI=1S/C14H20ClN/c1-10-6-5-9-13(15)14(10)16-11(2)12-7-3-4-8-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3
InChIKeyXXVCPXMKOMUVPU-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.64
Rot. Bonds3

About 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline

2-chloro-N-(1-cyclopentylethyl)-6-methylaniline (PubChem CID 66252662) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
PubChem CID66252662
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
SMILESCc1cccc(Cl)c1NC(C)C1CCCC1
InChIInChI=1S/C14H20ClN/c1-10-6-5-9-13(15)14(10)16-11(2)12-7-3-4-8-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3
InChIKeyXXVCPXMKOMUVPU-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopentylethyl)-2-ethyl-6-methylaniline
CID 63448490
3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
CID 113458617
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
CID 65469902
2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid
CID 103256046
3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
CID 43192017
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
CID 82816054
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
2-(2-chloro-6-methylanilino)cycloheptan-1-ol
CID 66253473
2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 54862093

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline?
The IUPAC name of 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline (CID 66252662) is 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline.
What is the SMILES notation for 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline?
The canonical SMILES for 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline is Cc1cccc(Cl)c1NC(C)C1CCCC1.
What is the InChIKey of 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline?
The InChIKey is XXVCPXMKOMUVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-6-5-9-13(15)14(10)16-11(2)12-7-3-4-8-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline?
2-chloro-N-(1-cyclopentylethyl)-6-methylaniline has a molecular weight of 237.77 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopentylethyl)-6-methylaniline is sourced from PubChem (CID 66252662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).