(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine

C14H21ClN2 — CID 55190288

IUPAC(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCCN1c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-10-5-3-4-8-17(10)14-7-6-12(11(2)16)9-13(14)15/h6-7,9-11H,3-5,8,16H2,1-2H3/t10?,11-/m0/s1
InChIKeyFNOKOPBZRZBKDL-DTIOYNMSSA-N
MW252.79 g/mol
LogP3.74
Rot. Bonds2

About (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 55190288) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID55190288
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCCN1c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-10-5-3-4-8-17(10)14-7-6-12(11(2)16)9-13(14)15/h6-7,9-11H,3-5,8,16H2,1-2H3/t10?,11-/m0/s1
InChIKeyFNOKOPBZRZBKDL-DTIOYNMSSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368798
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
(1S)-1-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-chlorophenyl]ethanamine
CID 82751036
(1R)-1-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chlorophenyl]ethanamine
CID 65321011
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063
1-[2-chloro-4-(chloromethyl)phenyl]-2-methylazepane
CID 81150934
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine (CID 55190288) is (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine is CC1CCCCN1c1ccc([C@H](C)N)cc1Cl.
What is the InChIKey of (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is FNOKOPBZRZBKDL-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-5-3-4-8-17(10)14-7-6-12(11(2)16)9-13(14)15/h6-7,9-11H,3-5,8,16H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 55190288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).