2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline

C16H25ClN2 — CID 114860609

IUPAC2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
SMILESCCN(c1ccc(Cl)cc1CC(C)N)C1CCCC1
InChIInChI=1S/C16H25ClN2/c1-3-19(15-6-4-5-7-15)16-9-8-14(17)11-13(16)10-12(2)18/h8-9,11-12,15H,3-7,10,18H2,1-2H3
InChIKeyZEYDIKBYVXBING-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.00
Rot. Bonds5

About 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline

2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline (PubChem CID 114860609) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
PubChem CID114860609
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
SMILESCCN(c1ccc(Cl)cc1CC(C)N)C1CCCC1
InChIInChI=1S/C16H25ClN2/c1-3-19(15-6-4-5-7-15)16-9-8-14(17)11-13(16)10-12(2)18/h8-9,11-12,15H,3-7,10,18H2,1-2H3
InChIKeyZEYDIKBYVXBING-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861570
2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
CID 114861578
4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 63786963
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
CID 62494913
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
CID 114848269
2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114861531
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
CID 78944318
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline?
The IUPAC name of 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline (CID 114860609) is 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline?
The canonical SMILES for 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline is CCN(c1ccc(Cl)cc1CC(C)N)C1CCCC1.
What is the InChIKey of 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline?
The InChIKey is ZEYDIKBYVXBING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-19(15-6-4-5-7-15)16-9-8-14(17)11-13(16)10-12(2)18/h8-9,11-12,15H,3-7,10,18H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline?
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline has a molecular weight of 280.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline is sourced from PubChem (CID 114860609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).