(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine

C17H20BrN — CID 116543839

IUPAC(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN/c1-12(2)10-13-4-3-5-15(11-13)17(19)14-6-8-16(18)9-7-14/h3-9,11-12,17H,10,19H2,1-2H3
InChIKeyBJBMPTOTFQXNFU-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.70
Rot. Bonds4

About (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine

(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116543839) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116543839
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN/c1-12(2)10-13-4-3-5-15(11-13)17(19)14-6-8-16(18)9-7-14/h3-9,11-12,17H,10,19H2,1-2H3
InChIKeyBJBMPTOTFQXNFU-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
2-(4-bromophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544590
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544376
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116543839) is (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2ccc(Br)cc2)c1.
What is the InChIKey of (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is BJBMPTOTFQXNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12(2)10-13-4-3-5-15(11-13)17(19)14-6-8-16(18)9-7-14/h3-9,11-12,17H,10,19H2,1-2H3.
What are the key properties of (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 318.26 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116543839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).