1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine

C16H17BrClN — CID 81296107

IUPAC1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClN/c1-2-19-16(10-12-6-4-3-5-7-12)13-8-9-14(17)15(18)11-13/h3-9,11,16,19H,2,10H2,1H3
InChIKeyYCVAIGYRTMEHCB-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.00
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine

1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine (PubChem CID 81296107) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
PubChem CID81296107
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClN/c1-2-19-16(10-12-6-4-3-5-7-12)13-8-9-14(17)15(18)11-13/h3-9,11,16,19H,2,10H2,1H3
InChIKeyYCVAIGYRTMEHCB-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
CID 114981903
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014457
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
1-(4-bromo-3-chlorophenyl)-N-ethylbut-3-yn-1-amine
CID 114977017
1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105007854
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine (CID 81296107) is 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine?
The InChIKey is YCVAIGYRTMEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-2-19-16(10-12-6-4-3-5-7-12)13-8-9-14(17)15(18)11-13/h3-9,11,16,19H,2,10H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine?
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine has a molecular weight of 338.68 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 81296107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).