2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine

C14H21ClN2 — CID 63783024

IUPAC2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCCN1c1cccc(Cl)c1CCN
InChIInChI=1S/C14H21ClN2/c1-11-5-2-3-10-17(11)14-7-4-6-13(15)12(14)8-9-16/h4,6-7,11H,2-3,5,8-10,16H2,1H3
InChIKeyIRBDMSODNIBFHX-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.22
Rot. Bonds3

About 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine

2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 63783024) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID63783024
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCCN1c1cccc(Cl)c1CCN
InChIInChI=1S/C14H21ClN2/c1-11-5-2-3-10-17(11)14-7-4-6-13(15)12(14)8-9-16/h4,6-7,11H,2-3,5,8-10,16H2,1H3
InChIKeyIRBDMSODNIBFHX-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine
CID 63782406
[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol
CID 60974509
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 55134862
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
CID 43628404
2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine
CID 63782919
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114065587
1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63784820
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine (CID 63783024) is 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine is CC1CCCCN1c1cccc(Cl)c1CCN.
What is the InChIKey of 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is IRBDMSODNIBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-5-2-3-10-17(11)14-7-4-6-13(15)12(14)8-9-16/h4,6-7,11H,2-3,5,8-10,16H2,1H3.
What are the key properties of 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine?
2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63783024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).