2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

C17H26BrN — CID 64765003

IUPAC2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)Cc2ccccc2Br)C(N)C1
InChIInChI=1S/C17H26BrN/c1-12-8-9-14(16(19)10-12)17(2,3)11-13-6-4-5-7-15(13)18/h4-7,12,14,16H,8-11,19H2,1-3H3
InChIKeyXUDSCQWBRFWVLP-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.78
Rot. Bonds3

About 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64765003) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64765003
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)Cc2ccccc2Br)C(N)C1
InChIInChI=1S/C17H26BrN/c1-12-8-9-14(16(19)10-12)17(2,3)11-13-6-4-5-7-15(13)18/h4-7,12,14,16H,8-11,19H2,1-3H3
InChIKeyXUDSCQWBRFWVLP-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (CID 64765003) is 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is CC1CCC(C(C)(C)Cc2ccccc2Br)C(N)C1.
What is the InChIKey of 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is XUDSCQWBRFWVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-12-8-9-14(16(19)10-12)17(2,3)11-13-6-4-5-7-15(13)18/h4-7,12,14,16H,8-11,19H2,1-3H3.
What are the key properties of 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).