1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine

C18H22BrN — CID 63528467

IUPAC1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
SMILESCNC(CCc1ccccc1C)Cc1cccc(Br)c1
InChIInChI=1S/C18H22BrN/c1-14-6-3-4-8-16(14)10-11-18(20-2)13-15-7-5-9-17(19)12-15/h3-9,12,18,20H,10-11,13H2,1-2H3
InChIKeyQZKRRINGKOXQSX-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.52
Rot. Bonds6

About 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine

1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine (PubChem CID 63528467) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
PubChem CID63528467
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
SMILESCNC(CCc1ccccc1C)Cc1cccc(Br)c1
InChIInChI=1S/C18H22BrN/c1-14-6-3-4-8-16(14)10-11-18(20-2)13-15-7-5-9-17(19)12-15/h3-9,12,18,20H,10-11,13H2,1-2H3
InChIKeyQZKRRINGKOXQSX-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 62367103
1-(3-chloro-4-fluorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 103042950
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009371
N-ethyl-1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367606
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
1-(3-bromophenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63191987
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063
1-(3-bromophenyl)-N-methylhex-4-yn-2-amine
CID 62310795

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine (CID 63528467) is 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine is CNC(CCc1ccccc1C)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine?
The InChIKey is QZKRRINGKOXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-14-6-3-4-8-16(14)10-11-18(20-2)13-15-7-5-9-17(19)12-15/h3-9,12,18,20H,10-11,13H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine?
1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine has a molecular weight of 332.29 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 63528467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).