N-[(4-fluorophenyl)methyl]-1-phenylethanamine

C15H16FN — CID 2758971

IUPACN-[(4-fluorophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H16FN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3
InChIKeyHSJNHKWTWTXYLV-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.68
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-phenylethanamine

N-[(4-fluorophenyl)methyl]-1-phenylethanamine (PubChem CID 2758971) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-phenylethanamine
PubChem CID2758971
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H16FN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3
InChIKeyHSJNHKWTWTXYLV-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 54803868
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639
2-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetic acid
CID 103257154
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-phenylethanamine (CID 2758971) is N-[(4-fluorophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-phenylethanamine is CC(NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-phenylethanamine?
The InChIKey is HSJNHKWTWTXYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-phenylethanamine?
N-[(4-fluorophenyl)methyl]-1-phenylethanamine has a molecular weight of 229.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 2758971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).