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

C15H15BrFN — CID 60659010

IUPACN-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C15H15BrFN/c1-11(14-4-2-3-5-15(14)17)18-10-12-6-8-13(16)9-7-12/h2-9,11,18H,10H2,1H3
InChIKeyZFRQJIFMLJTTHO-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.44
Rot. Bonds4

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

N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 60659010) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID60659010
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C15H15BrFN/c1-11(14-4-2-3-5-15(14)17)18-10-12-6-8-13(16)9-7-12/h2-9,11,18H,10H2,1H3
InChIKeyZFRQJIFMLJTTHO-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 60664100
1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 60659012
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 60659010) is N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine is CC(NCc1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is ZFRQJIFMLJTTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-11(14-4-2-3-5-15(14)17)18-10-12-6-8-13(16)9-7-12/h2-9,11,18H,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 60659010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).