3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline

C14H20ClN — CID 64502448

IUPAC3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
SMILESCCC1CCC(Nc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C14H20ClN/c1-3-11-5-7-12(8-11)16-13-6-4-10(2)14(15)9-13/h4,6,9,11-12,16H,3,5,7-8H2,1-2H3
InChIKeyVSOYCXSVWZKADC-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.64
Rot. Bonds3

About 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline

3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline (PubChem CID 64502448) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
PubChem CID64502448
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
SMILESCCC1CCC(Nc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C14H20ClN/c1-3-11-5-7-12(8-11)16-13-6-4-10(2)14(15)9-13/h4,6,9,11-12,16H,3,5,7-8H2,1-2H3
InChIKeyVSOYCXSVWZKADC-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-(3-ethylcyclopentyl)-3-iodo-4-methylaniline
CID 64502521
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
3-chloro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63418757
N-(3-ethylcyclopentyl)-3-methyl-4-nitroaniline
CID 64501556
3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
CID 63462471
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455763
N-(3-ethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64501891
4-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955577
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131
2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
CID 104726174

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline?
The IUPAC name of 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline (CID 64502448) is 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline.
What is the SMILES notation for 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline?
The canonical SMILES for 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline is CCC1CCC(Nc2ccc(C)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline?
The InChIKey is VSOYCXSVWZKADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-11-5-7-12(8-11)16-13-6-4-10(2)14(15)9-13/h4,6,9,11-12,16H,3,5,7-8H2,1-2H3.
What are the key properties of 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline?
3-chloro-N-(3-ethylcyclopentyl)-4-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 3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline is sourced from PubChem (CID 64502448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).