1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine

C16H25ClN2 — CID 55019889

IUPAC1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
SMILESCCC1CCN(C(c2cccc(Cl)c2)C(C)N)CC1
InChIInChI=1S/C16H25ClN2/c1-3-13-7-9-19(10-8-13)16(12(2)18)14-5-4-6-15(17)11-14/h4-6,11-13,16H,3,7-10,18H2,1-2H3
InChIKeyYLZZACUCDNFSAU-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.85
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine

1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine (PubChem CID 55019889) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
PubChem CID55019889
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
SMILESCCC1CCN(C(c2cccc(Cl)c2)C(C)N)CC1
InChIInChI=1S/C16H25ClN2/c1-3-13-7-9-19(10-8-13)16(12(2)18)14-5-4-6-15(17)11-14/h4-6,11-13,16H,3,7-10,18H2,1-2H3
InChIKeyYLZZACUCDNFSAU-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
CID 55019457
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777829
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351682
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
1-(3-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55019551
1-(3-chlorophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66393212
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine (CID 55019889) is 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine is CCC1CCN(C(c2cccc(Cl)c2)C(C)N)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine?
The InChIKey is YLZZACUCDNFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-13-7-9-19(10-8-13)16(12(2)18)14-5-4-6-15(17)11-14/h4-6,11-13,16H,3,7-10,18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine?
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 55019889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).