N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine

C19H24BrN — CID 63526553

IUPACN-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1ccc(Br)cc1C
InChIInChI=1S/C19H24BrN/c1-4-11-21-19(13-16-7-5-14(2)6-8-16)18-10-9-17(20)12-15(18)3/h5-10,12,19,21H,4,11,13H2,1-3H3
InChIKeyCPQCELIWMZCEJG-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.35
Rot. Bonds6

About N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine

N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 63526553) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID63526553
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1ccc(Br)cc1C
InChIInChI=1S/C19H24BrN/c1-4-11-21-19(13-16-7-5-14(2)6-8-16)18-10-9-17(20)12-15(18)3/h5-10,12,19,21H,4,11,13H2,1-3H3
InChIKeyCPQCELIWMZCEJG-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
CID 115832820
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786
N-[1-(4-bromo-2-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43629894
N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43496902
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine (CID 63526553) is N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1)c1ccc(Br)cc1C.
What is the InChIKey of N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is CPQCELIWMZCEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-11-21-19(13-16-7-5-14(2)6-8-16)18-10-9-17(20)12-15(18)3/h5-10,12,19,21H,4,11,13H2,1-3H3.
What are the key properties of N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63526553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).