[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine

C17H27ClN2 — CID 103351682

IUPAC[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C(CC)c2cccc(Cl)c2)C(CN)C1
InChIInChI=1S/C17H27ClN2/c1-3-13-8-9-20(16(10-13)12-19)17(4-2)14-6-5-7-15(18)11-14/h5-7,11,13,16-17H,3-4,8-10,12,19H2,1-2H3
InChIKeyDBLAAUDYLCAZLO-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.24
Rot. Bonds5

About [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine

[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103351682) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103351682
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C(CC)c2cccc(Cl)c2)C(CN)C1
InChIInChI=1S/C17H27ClN2/c1-3-13-8-9-20(16(10-13)12-19)17(4-2)14-6-5-7-15(18)11-14/h5-7,11,13,16-17H,3-4,8-10,12,19H2,1-2H3
InChIKeyDBLAAUDYLCAZLO-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine 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

[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
CID 103351805
4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
CID 103351995
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351643
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
CID 103440552
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62886589
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103352002
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethylpiperidin-2-yl]methanamine
CID 103351970

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine (CID 103351682) is [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(C(CC)c2cccc(Cl)c2)C(CN)C1.
What is the InChIKey of [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is DBLAAUDYLCAZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-13-8-9-20(16(10-13)12-19)17(4-2)14-6-5-7-15(18)11-14/h5-7,11,13,16-17H,3-4,8-10,12,19H2,1-2H3.
What are the key properties of [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 294.87 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103351682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).