2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine

C19H24BrN — CID 43740817

IUPAC2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(C)NC(C)(C)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C19H24BrN/c1-13-6-11-18(14(2)12-13)15(3)21-19(4,5)16-7-9-17(20)10-8-16/h6-12,15,21H,1-5H3
InChIKeyAIXMWUOZWNCSIX-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.65
Rot. Bonds4

About 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine

2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine (PubChem CID 43740817) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine
PubChem CID43740817
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(C)NC(C)(C)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C19H24BrN/c1-13-6-11-18(14(2)12-13)15(3)21-19(4,5)16-7-9-17(20)10-8-16/h6-12,15,21H,1-5H3
InChIKeyAIXMWUOZWNCSIX-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 63425514
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine
CID 43740758
2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 107597666
3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol
CID 43740839
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231
2-(4-bromophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 43740769
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843709
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine (CID 43740817) is 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine is Cc1ccc(C(C)NC(C)(C)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine?
The InChIKey is AIXMWUOZWNCSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-13-6-11-18(14(2)12-13)15(3)21-19(4,5)16-7-9-17(20)10-8-16/h6-12,15,21H,1-5H3.
What are the key properties of 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine?
2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine has a molecular weight of 346.31 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43740817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).