2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine

C14H11BrCl2FN — CID 81491392

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11BrCl2FN/c15-10-3-1-8(13(18)7-10)6-14(19)9-2-4-11(16)12(17)5-9/h1-5,7,14H,6,19H2
InChIKeyKCEOXJFMQCGHCZ-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.14
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine (PubChem CID 81491392) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
PubChem CID81491392
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11BrCl2FN/c15-10-3-1-8(13(18)7-10)6-14(19)9-2-4-11(16)12(17)5-9/h1-5,7,14H,6,19H2
InChIKeyKCEOXJFMQCGHCZ-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021
2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106691816
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine (CID 81491392) is 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine is NC(Cc1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine?
The InChIKey is KCEOXJFMQCGHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-10-3-1-8(13(18)7-10)6-14(19)9-2-4-11(16)12(17)5-9/h1-5,7,14H,6,19H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine has a molecular weight of 363.06 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 81491392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).