4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine

C17H20BrN — CID 81024067

IUPAC4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCNCC(CCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrN/c1-19-13-16(14-7-3-2-4-8-14)12-11-15-9-5-6-10-17(15)18/h2-10,16,19H,11-13H2,1H3
InChIKeyMAJWUCHUJUDMOC-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.38
Rot. Bonds6

About 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine

4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 81024067) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
PubChem CID81024067
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCNCC(CCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrN/c1-19-13-16(14-7-3-2-4-8-14)12-11-15-9-5-6-10-17(15)18/h2-10,16,19H,11-13H2,1H3
InChIKeyMAJWUCHUJUDMOC-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 107311080
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 81028431
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81024527
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
CID 70494547
2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine
CID 79449305

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine (CID 81024067) is 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine is CNCC(CCc1ccccc1Br)c1ccccc1.
What is the InChIKey of 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is MAJWUCHUJUDMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-19-13-16(14-7-3-2-4-8-14)12-11-15-9-5-6-10-17(15)18/h2-10,16,19H,11-13H2,1H3.
What are the key properties of 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine?
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 81024067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).