1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine

C19H24BrN — CID 63413718

IUPAC1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H24BrN/c1-4-21-19(12-16-6-5-7-18(20)11-16)13-17-9-8-14(2)15(3)10-17/h5-11,19,21H,4,12-13H2,1-3H3
InChIKeyXIQXRBUABOXCJP-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.83
Rot. Bonds6

About 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine

1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine (PubChem CID 63413718) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
PubChem CID63413718
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H24BrN/c1-4-21-19(12-16-6-5-7-18(20)11-16)13-17-9-8-14(2)15(3)10-17/h5-11,19,21H,4,12-13H2,1-3H3
InChIKeyXIQXRBUABOXCJP-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine (CID 63413718) is 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine is CCNC(Cc1cccc(Br)c1)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine?
The InChIKey is XIQXRBUABOXCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-21-19(12-16-6-5-7-18(20)11-16)13-17-9-8-14(2)15(3)10-17/h5-11,19,21H,4,12-13H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine?
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine has a molecular weight of 346.31 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 63413718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).