1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine

C16H17Br2N — CID 60819896

IUPAC1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H17Br2N/c1-2-19-16(13-4-3-5-15(18)11-13)10-12-6-8-14(17)9-7-12/h3-9,11,16,19H,2,10H2,1H3
InChIKeyOYLXQXMJEOUUOW-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.10
Rot. Bonds5

About 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine

1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine (PubChem CID 60819896) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
PubChem CID60819896
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H17Br2N/c1-2-19-16(13-4-3-5-15(18)11-13)10-12-6-8-14(17)9-7-12/h3-9,11,16,19H,2,10H2,1H3
InChIKeyOYLXQXMJEOUUOW-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63413050
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine (CID 60819896) is 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine?
The InChIKey is OYLXQXMJEOUUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-2-19-16(13-4-3-5-15(18)11-13)10-12-6-8-14(17)9-7-12/h3-9,11,16,19H,2,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine?
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine has a molecular weight of 383.13 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine is sourced from PubChem (CID 60819896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).