N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine

C17H19BrFN — CID 43221510

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-3-13-4-6-14(7-5-13)12(2)20-11-15-8-9-16(18)10-17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyNJQOBGQMUYDWKV-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.00
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine

N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine (PubChem CID 43221510) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
PubChem CID43221510
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-3-13-4-6-14(7-5-13)12(2)20-11-15-8-9-16(18)10-17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyNJQOBGQMUYDWKV-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347202
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62049142
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230891
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79710098
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43242831
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
N-[(4-bromo-2-fluorophenyl)methyl]-3-ethylpentan-2-amine
CID 63842766
1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114842202
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine (CID 43221510) is N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The InChIKey is NJQOBGQMUYDWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-13-4-6-14(7-5-13)12(2)20-11-15-8-9-16(18)10-17(15)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine?
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine has a molecular weight of 336.25 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 N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 43221510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).