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

C13H14FNO — CID 43178684

IUPACN-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H14FNO/c1-10(13-3-2-8-16-13)15-9-11-4-6-12(14)7-5-11/h2-8,10,15H,9H2,1H3
InChIKeyXEFCGUVBNPOQIQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.27
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 43178684) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID43178684
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H14FNO/c1-10(13-3-2-8-16-13)15-9-11-4-6-12(14)7-5-11/h2-8,10,15H,9H2,1H3
InChIKeyXEFCGUVBNPOQIQ-UHFFFAOYSA-N
XLogP3.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81437435
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
CID 81403321
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62557968
1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408062
N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 62135238
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675922
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine (CID 43178684) is N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine is CC(NCc1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is XEFCGUVBNPOQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-10(13-3-2-8-16-13)15-9-11-4-6-12(14)7-5-11/h2-8,10,15H,9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 219.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 43178684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).