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

C16H25ClN2 — CID 55019306

IUPAC1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
SMILESCCC1CCCCN1C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C16H25ClN2/c1-3-15-9-4-5-10-19(15)16(12(2)18)13-7-6-8-14(17)11-13/h6-8,11-12,15-16H,3-5,9-10,18H2,1-2H3
InChIKeyAYNWQVUFGNLESZ-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.99
Rot. Bonds4

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

1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine (PubChem CID 55019306) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
PubChem CID55019306
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
SMILESCCC1CCCCN1C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C16H25ClN2/c1-3-15-9-4-5-10-19(15)16(12(2)18)13-7-6-8-14(17)11-13/h6-8,11-12,15-16H,3-5,9-10,18H2,1-2H3
InChIKeyAYNWQVUFGNLESZ-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053735
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
CID 55019931
[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777829
1-(2-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018825
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-chlorophenyl)butan-2-amine
CID 65319355
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine (CID 55019306) is 1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine is CCC1CCCCN1C(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine?
The InChIKey is AYNWQVUFGNLESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-15-9-4-5-10-19(15)16(12(2)18)13-7-6-8-14(17)11-13/h6-8,11-12,15-16H,3-5,9-10,18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine?
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.99, 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-(2-ethylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 55019306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).