N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine

C12H11ClFNO — CID 115585176

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
SMILESFc1cccc(Cl)c1CNCc1ccoc1
InChIInChI=1S/C12H11ClFNO/c13-11-2-1-3-12(14)10(11)7-15-6-9-4-5-16-8-9/h1-5,8,15H,6-7H2
InChIKeyLJYJHPJGXSIEIO-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.36
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine (PubChem CID 115585176) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
PubChem CID115585176
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
SMILESFc1cccc(Cl)c1CNCc1ccoc1
InChIInChI=1S/C12H11ClFNO/c13-11-2-1-3-12(14)10(11)7-15-6-9-4-5-16-8-9/h1-5,8,15H,6-7H2
InChIKeyLJYJHPJGXSIEIO-UHFFFAOYSA-N
XLogP3.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 4716146
1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluorophenyl)methyl]methanamine
CID 4718013
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
CID 43426770
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656308
2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598874

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine (CID 115585176) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine is Fc1cccc(Cl)c1CNCc1ccoc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine?
The InChIKey is LJYJHPJGXSIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-11-2-1-3-12(14)10(11)7-15-6-9-4-5-16-8-9/h1-5,8,15H,6-7H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine has a molecular weight of 239.68 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine is sourced from PubChem (CID 115585176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).