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

C15H23BrN2 — CID 114592128

IUPAC[3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CC(C)C(C)N(c2ccc(CN)cc2Br)C1
InChIInChI=1S/C15H23BrN2/c1-10-6-11(2)12(3)18(9-10)15-5-4-13(8-17)7-14(15)16/h4-5,7,10-12H,6,8-9,17H2,1-3H3
InChIKeyNVKKBRBJRXADBZ-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.78
Rot. Bonds2

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

[3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine (PubChem CID 114592128) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
PubChem CID114592128
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name[3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CC(C)C(C)N(c2ccc(CN)cc2Br)C1
InChIInChI=1S/C15H23BrN2/c1-10-6-11(2)12(3)18(9-10)15-5-4-13(8-17)7-14(15)16/h4-5,7,10-12H,6,8-9,17H2,1-3H3
InChIKeyNVKKBRBJRXADBZ-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.78
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
5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592015
[3-bromo-4-(2-methylazepan-1-yl)phenyl]methanamine
CID 82793538
[4-chloro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114592123
1-[4-(aminomethyl)-2-bromophenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82793756
3-iodo-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114591976
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-2,3,5-trimethylpiperidine
CID 114594078
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-bromophenyl]methanamine
CID 82794484
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
CID 114054514

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine (CID 114592128) is [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine is CC1CC(C)C(C)N(c2ccc(CN)cc2Br)C1.
What is the InChIKey of [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is NVKKBRBJRXADBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-10-6-11(2)12(3)18(9-10)15-5-4-13(8-17)7-14(15)16/h4-5,7,10-12H,6,8-9,17H2,1-3H3.
What are the key properties of [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine?
[3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 311.27 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114592128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).