1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine

C19H24BrN — CID 115803182

IUPAC1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cc1)c1ccc(C)c(Br)c1
InChIInChI=1S/C19H24BrN/c1-4-15-7-9-16(10-8-15)12-19(21-5-2)17-11-6-14(3)18(20)13-17/h6-11,13,19,21H,4-5,12H2,1-3H3
InChIKeyIMBJYGMQECIFRC-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.21
Rot. Bonds6

About 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine

1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine (PubChem CID 115803182) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
PubChem CID115803182
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cc1)c1ccc(C)c(Br)c1
InChIInChI=1S/C19H24BrN/c1-4-15-7-9-16(10-8-15)12-19(21-5-2)17-11-6-14(3)18(20)13-17/h6-11,13,19,21H,4-5,12H2,1-3H3
InChIKeyIMBJYGMQECIFRC-UHFFFAOYSA-N
XLogP5.21
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 ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 115800248
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106754957
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107988800
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine (CID 115803182) is 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine is CCNC(Cc1ccc(CC)cc1)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine?
The InChIKey is IMBJYGMQECIFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-15-7-9-16(10-8-15)12-19(21-5-2)17-11-6-14(3)18(20)13-17/h6-11,13,19,21H,4-5,12H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine?
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 115803182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).