N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine

C15H23ClN2 — CID 114847259

IUPACN-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1N1CCCCC1C
InChIInChI=1S/C15H23ClN2/c1-3-17-11-13-10-14(16)7-8-15(13)18-9-5-4-6-12(18)2/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyGWYWXDYCXGOECK-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.83
Rot. Bonds4

About N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114847259) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID114847259
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1N1CCCCC1C
InChIInChI=1S/C15H23ClN2/c1-3-17-11-13-10-14(16)7-8-15(13)18-9-5-4-6-12(18)2/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyGWYWXDYCXGOECK-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114847257
1-[4-chloro-2-(chloromethyl)phenyl]-2-methylazepane
CID 114846714
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-chlorophenyl]methyl]ethanamine
CID 114851923
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-chlorophenyl]methyl]ethanamine
CID 114852999
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
CID 114845110
1-[5-chloro-2-(2-methylazepan-1-yl)phenyl]butan-2-amine
CID 114861727
5-chloro-2-(2-methylazepan-1-yl)benzaldehyde
CID 114844359
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
[1-[5-chloro-2-(ethylaminomethyl)phenyl]azepan-2-yl]methanol
CID 114853911
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114850627

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 114847259) is N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1N1CCCCC1C.
What is the InChIKey of N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is GWYWXDYCXGOECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-17-11-13-10-14(16)7-8-15(13)18-9-5-4-6-12(18)2/h7-8,10,12,17H,3-6,9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114847259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).