1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine

C16H18BrN — CID 113324686

IUPAC1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrN/c1-3-18-12(2)13-6-4-7-14(10-13)15-8-5-9-16(17)11-15/h4-12,18H,3H2,1-2H3
InChIKeyUTBUNZAPEVOVRD-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.79
Rot. Bonds4

About 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine

1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine (PubChem CID 113324686) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
PubChem CID113324686
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrN/c1-3-18-12(2)13-6-4-7-14(10-13)15-8-5-9-16(17)11-15/h4-12,18H,3H2,1-2H3
InChIKeyUTBUNZAPEVOVRD-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
CID 65099364
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
CID 62801214
N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine
CID 63962450

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine (CID 113324686) is 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(-c2cccc(Br)c2)c1.
What is the InChIKey of 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine?
The InChIKey is UTBUNZAPEVOVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-3-18-12(2)13-6-4-7-14(10-13)15-8-5-9-16(17)11-15/h4-12,18H,3H2,1-2H3.
What are the key properties of 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine?
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 113324686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).