1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine

C16H16BrClFN — CID 107945134

IUPAC1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(7-11-4-3-5-15(19)6-11)12-8-13(17)10-14(18)9-12/h3-6,8-10,16,20H,2,7H2,1H3
InChIKeyHENVIVYTILPDHN-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.13
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine

1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine (PubChem CID 107945134) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
PubChem CID107945134
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H16BrClFN/c1-2-20-16(7-11-4-3-5-15(19)6-11)12-8-13(17)10-14(18)9-12/h3-6,8-10,16,20H,2,7H2,1H3
InChIKeyHENVIVYTILPDHN-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 107946692
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105015428
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine (CID 107945134) is 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine is CCNC(Cc1cccc(F)c1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is HENVIVYTILPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-2-20-16(7-11-4-3-5-15(19)6-11)12-8-13(17)10-14(18)9-12/h3-6,8-10,16,20H,2,7H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine has a molecular weight of 356.67 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 107945134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).