N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine

C12H11F2NO — CID 60957165

IUPACN-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
SMILESFc1cc(F)cc(CNCc2ccco2)c1
InChIInChI=1S/C12H11F2NO/c13-10-4-9(5-11(14)6-10)7-15-8-12-2-1-3-16-12/h1-6,15H,7-8H2
InChIKeyWJZNSYQVSILRSG-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.85
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine

N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 60957165) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
PubChem CID60957165
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
SMILESFc1cc(F)cc(CNCc2ccco2)c1
InChIInChI=1S/C12H11F2NO/c13-10-4-9(5-11(14)6-10)7-15-8-12-2-1-3-16-12/h1-6,15H,7-8H2
InChIKeyWJZNSYQVSILRSG-UHFFFAOYSA-N
XLogP2.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine 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

2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 84753814
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 17158546
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 16775123
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
CID 84753234
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17158543
2-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)ethanamine
CID 78955642
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881885

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine (CID 60957165) is N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine is Fc1cc(F)cc(CNCc2ccco2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is WJZNSYQVSILRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-10-4-9(5-11(14)6-10)7-15-8-12-2-1-3-16-12/h1-6,15H,7-8H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine?
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 223.22 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 60957165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).