1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine

C15H17F2NO2 — CID 43515403

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine
SMILESCC(NCCc1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2NO2/c1-11(18-8-7-13-6-3-9-19-13)12-4-2-5-14(10-12)20-15(16)17/h2-6,9-11,15,18H,7-8H2,1H3
InChIKeyMJNBZTCZZYONIV-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.77
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine

1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine (PubChem CID 43515403) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine
PubChem CID43515403
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine
SMILESCC(NCCc1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2NO2/c1-11(18-8-7-13-6-3-9-19-13)12-4-2-5-14(10-12)20-15(16)17/h2-6,9-11,15,18H,7-8H2,1H3
InChIKeyMJNBZTCZZYONIV-UHFFFAOYSA-N
XLogP3.77
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)ethyl]-2-methoxy-4-(trifluoromethyl)benzamide
CID 5301701
N-(1-Benzyl-propyl)-3-furan-2-yl-acrylamide
CID 5762726
N-[1-(4-Methoxyphenyl)-3-methyl-3-buten-1-yl]-2-furanmethanamine
CID 2772050
N-(4-fluorobenzyl)-3-(2-furyl)acrylamide
CID 5644611
3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
CID 2954718
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
Furan-2-ylmethyl-[1-(4-methoxy-phenyl)-but-3-enyl]-amine
CID 3150628
N-(4-fluorobenzyl)-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 3606576
(4-Fluoro-benzyl)-(3-furan-2-yl-4-phenyl-butyl)-amine
CID 3751836
N-(1-(furan-2-yl)propan-2-yl)-4-(trifluoromethyl)benzamide
CID 4253008
N-(sec-butyl)-3-(2-furyl)-2-phenylacrylamide
CID 5350394
N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxan-4-amine
CID 4209474

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine (CID 43515403) is 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine is CC(NCCc1ccco1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine?
The InChIKey is MJNBZTCZZYONIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-11(18-8-7-13-6-3-9-19-13)12-4-2-5-14(10-12)20-15(16)17/h2-6,9-11,15,18H,7-8H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine?
1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine has a molecular weight of 281.30 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 43515403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).