1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine

C14H16FNO — CID 115634120

IUPAC1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCc1ccco1
InChIInChI=1S/C14H16FNO/c1-11(16-10-14-6-3-7-17-14)8-12-4-2-5-13(15)9-12/h2-7,9,11,16H,8,10H2,1H3
InChIKeyYSMRSOPBMKMOLK-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.14
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine

1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine (PubChem CID 115634120) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
PubChem CID115634120
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCc1ccco1
InChIInChI=1S/C14H16FNO/c1-11(16-10-14-6-3-7-17-14)8-12-4-2-5-13(15)9-12/h2-7,9,11,16H,8,10H2,1H3
InChIKeyYSMRSOPBMKMOLK-UHFFFAOYSA-N
XLogP3.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 79710171
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 62998868
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 114078701
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 115712429
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 102673147
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine (CID 115634120) is 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine is CC(Cc1cccc(F)c1)NCc1ccco1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine?
The InChIKey is YSMRSOPBMKMOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-11(16-10-14-6-3-7-17-14)8-12-4-2-5-13(15)9-12/h2-7,9,11,16H,8,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine?
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine has a molecular weight of 233.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 115634120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).