[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine

C15H23ClN2 — CID 114592123

IUPAC[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CC(C)C(C)N(c2cc(Cl)ccc2CN)C1
InChIInChI=1S/C15H23ClN2/c1-10-6-11(2)12(3)18(9-10)15-7-14(16)5-4-13(15)8-17/h4-5,7,10-12H,6,8-9,17H2,1-3H3
InChIKeyLEQBFKQDLIACIG-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.67
Rot. Bonds2

About [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine

[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine (PubChem CID 114592123) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
PubChem CID114592123
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CC(C)C(C)N(c2cc(Cl)ccc2CN)C1
InChIInChI=1S/C15H23ClN2/c1-10-6-11(2)12(3)18(9-10)15-7-14(16)5-4-13(15)8-17/h4-5,7,10-12H,6,8-9,17H2,1-3H3
InChIKeyLEQBFKQDLIACIG-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114594256
[3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114592128
2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592004
[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
CID 114054514
1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine
CID 114846600
[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
CID 63082825
[4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227050
3-iodo-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114591976
5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592015
3-chloro-N'-hydroxy-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593469
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763222

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine (CID 114592123) is [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine is CC1CC(C)C(C)N(c2cc(Cl)ccc2CN)C1.
What is the InChIKey of [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is LEQBFKQDLIACIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-10-6-11(2)12(3)18(9-10)15-7-14(16)5-4-13(15)8-17/h4-5,7,10-12H,6,8-9,17H2,1-3H3.
What are the key properties of [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 266.82 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114592123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).