N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine

C17H20BrN — CID 105409340

IUPACN-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1-c1ccccc1Br
InChIInChI=1S/C17H20BrN/c1-12(2)19-11-14-9-8-13(3)16(10-14)15-6-4-5-7-17(15)18/h4-10,12,19H,11H2,1-3H3
InChIKeyIBAOYTZQBDLMTK-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.92
Rot. Bonds4

About N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine

N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105409340) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105409340
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1-c1ccccc1Br
InChIInChI=1S/C17H20BrN/c1-12(2)19-11-14-9-8-13(3)16(10-14)15-6-4-5-7-17(15)18/h4-10,12,19H,11H2,1-3H3
InChIKeyIBAOYTZQBDLMTK-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 115503587
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
1-[3-(3-bromo-2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 106646455
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408904
N-[[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]methyl]propan-2-amine
CID 81160503

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine (CID 105409340) is N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine is Cc1ccc(CNC(C)C)cc1-c1ccccc1Br.
What is the InChIKey of N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is IBAOYTZQBDLMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12(2)19-11-14-9-8-13(3)16(10-14)15-6-4-5-7-17(15)18/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 318.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105409340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).