1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine

C15H22BrN — CID 64733966

IUPAC1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2ccccc2Br)CC1C
InChIInChI=1S/C15H22BrN/c1-11-7-8-15(17,9-12(11)2)10-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyMUDQTSWFOJXODL-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.15
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine

1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 64733966) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID64733966
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2ccccc2Br)CC1C
InChIInChI=1S/C15H22BrN/c1-11-7-8-15(17,9-12(11)2)10-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyMUDQTSWFOJXODL-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 64733966) is 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(N)(Cc2ccccc2Br)CC1C.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is MUDQTSWFOJXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-7-8-15(17,9-12(11)2)10-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,17H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64733966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).