1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C17H20BrN — CID 43481044

IUPAC1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(Br)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20BrN/c1-12(2)13-4-6-14(7-5-13)17(19-3)15-8-10-16(18)11-9-15/h4-12,17,19H,1-3H3
InChIKeyOTRKQWGQEYTWGE-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 43481044) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID43481044
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(Br)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20BrN/c1-12(2)13-4-6-14(7-5-13)17(19-3)15-8-10-16(18)11-9-15/h4-12,17,19H,1-3H3
InChIKeyOTRKQWGQEYTWGE-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)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

1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 115567213
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1-(4-bromophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482469
1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481084
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
(4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane
CID 139406486
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 43481044) is 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(Br)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is OTRKQWGQEYTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12(2)13-4-6-14(7-5-13)17(19-3)15-8-10-16(18)11-9-15/h4-12,17,19H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 318.26 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 43481044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).