[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine

C15H22BrN — CID 65394458

IUPAC[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(Cc2ccccc2Br)C1
InChIInChI=1S/C15H22BrN/c1-12-5-4-8-15(9-12,11-17)10-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3
InChIKeyYOGMZVTYPYGEIV-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.15
Rot. Bonds3

About [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine

[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine (PubChem CID 65394458) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
PubChem CID65394458
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(Cc2ccccc2Br)C1
InChIInChI=1S/C15H22BrN/c1-12-5-4-8-15(9-12,11-17)10-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3
InChIKeyYOGMZVTYPYGEIV-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine (CID 65394458) is [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine is CC1CCCC(CN)(Cc2ccccc2Br)C1.
What is the InChIKey of [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine?
The InChIKey is YOGMZVTYPYGEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12-5-4-8-15(9-12,11-17)10-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3.
What are the key properties of [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine?
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 65394458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).