[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine

C17H26BrN — CID 81011476

IUPAC[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C17H26BrN/c1-12(2)14-5-6-15(11-19)16(10-14)9-13-3-7-17(18)8-4-13/h3-4,7-8,12,14-16H,5-6,9-11,19H2,1-2H3
InChIKeyIAPVDUOSZUAMHW-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.64
Rot. Bonds4

About [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine

[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81011476) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81011476
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C17H26BrN/c1-12(2)14-5-6-15(11-19)16(10-14)9-13-3-7-17(18)8-4-13/h3-4,7-8,12,14-16H,5-6,9-11,19H2,1-2H3
InChIKeyIAPVDUOSZUAMHW-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine (CID 81011476) is [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)C(Cc2ccc(Br)cc2)C1.
What is the InChIKey of [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is IAPVDUOSZUAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-12(2)14-5-6-15(11-19)16(10-14)9-13-3-7-17(18)8-4-13/h3-4,7-8,12,14-16H,5-6,9-11,19H2,1-2H3.
What are the key properties of [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 324.31 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81011476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).