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

C14H16FNO — CID 62135238

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(F)ccc1CNC(C)c1ccco1
InChIInChI=1S/C14H16FNO/c1-10-8-13(15)6-5-12(10)9-16-11(2)14-4-3-7-17-14/h3-8,11,16H,9H2,1-2H3
InChIKeyZACFTDPKWBBDAS-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.58
Rot. Bonds4

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

N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 62135238) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID62135238
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(F)ccc1CNC(C)c1ccco1
InChIInChI=1S/C14H16FNO/c1-10-8-13(15)6-5-12(10)9-16-11(2)14-4-3-7-17-14/h3-8,11,16H,9H2,1-2H3
InChIKeyZACFTDPKWBBDAS-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 60664695
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403419
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
(1R)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104862327
N-[(4-bromo-2-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 113242867

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine (CID 62135238) is N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine is Cc1cc(F)ccc1CNC(C)c1ccco1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is ZACFTDPKWBBDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-10-8-13(15)6-5-12(10)9-16-11(2)14-4-3-7-17-14/h3-8,11,16H,9H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine?
N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 62135238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).