N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine

C15H14BrClFN — CID 83235359

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H14BrClFN/c16-13-9-11(5-6-14(13)17)10-19-8-7-12-3-1-2-4-15(12)18/h1-6,9,19H,7-8,10H2
InChIKeyCHZQSOCUEFKBOT-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.57
Rot. Bonds5

About N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine

N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 83235359) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID83235359
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H14BrClFN/c16-13-9-11(5-6-14(13)17)10-19-8-7-12-3-1-2-4-15(12)18/h1-6,9,19H,7-8,10H2
InChIKeyCHZQSOCUEFKBOT-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 17056891
N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 29222471
3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline
CID 115211996
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4719683
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115523424
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17292996
N-[(2-chloro-5-nitrophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43462250
2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
CID 43224384
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207485

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine (CID 83235359) is N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is CHZQSOCUEFKBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c16-13-9-11(5-6-14(13)17)10-19-8-7-12-3-1-2-4-15(12)18/h1-6,9,19H,7-8,10H2.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine?
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 83235359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).