1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine

C16H25ClN2 — CID 63787159

IUPAC1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCCN(c2cccc(Cl)c2CC(C)N)C1
InChIInChI=1S/C16H25ClN2/c1-3-13-6-5-9-19(11-13)16-8-4-7-15(17)14(16)10-12(2)18/h4,7-8,12-13H,3,5-6,9-11,18H2,1-2H3
InChIKeyIZSNOPOYLNKQSH-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.86
Rot. Bonds4

About 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine

1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 63787159) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID63787159
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCCN(c2cccc(Cl)c2CC(C)N)C1
InChIInChI=1S/C16H25ClN2/c1-3-13-6-5-9-19(11-13)16-8-4-7-15(17)14(16)10-12(2)18/h4,7-8,12-13H,3,5-6,9-11,18H2,1-2H3
InChIKeyIZSNOPOYLNKQSH-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]methanol
CID 114065244
(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
CID 63370938
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
1-[3-chloro-2-(chloromethyl)phenyl]-3-methylpiperidine
CID 43121145
3-chloro-2-[(3-ethylpiperidin-1-yl)methyl]aniline
CID 63745585
[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol
CID 63060772
1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 79183981

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine (CID 63787159) is 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine is CCC1CCCN(c2cccc(Cl)c2CC(C)N)C1.
What is the InChIKey of 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is IZSNOPOYLNKQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-13-6-5-9-19(11-13)16-8-4-7-15(17)14(16)10-12(2)18/h4,7-8,12-13H,3,5-6,9-11,18H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine?
1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63787159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).