(1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine

C15H16ClF2NOS — CID 81375041

IUPAC(1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(CSC(F)F)o1)c1ccccc1Cl
InChIInChI=1S/C15H16ClF2NOS/c1-10(13-4-2-3-5-14(13)16)19-8-11-6-7-12(20-11)9-21-15(17)18/h2-7,10,15,19H,8-9H2,1H3/t10-/m1/s1
InChIKeyKKCONMYEBBRIST-SNVBAGLBSA-N
MW331.82 g/mol
LogP5.24
Rot. Bonds7

About (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine

(1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 81375041) has the molecular formula C15H16ClF2NOS and a molecular weight of 331.82 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID81375041
Molecular FormulaC15H16ClF2NOS
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name(1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(CSC(F)F)o1)c1ccccc1Cl
InChIInChI=1S/C15H16ClF2NOS/c1-10(13-4-2-3-5-14(13)16)19-8-11-6-7-12(20-11)9-21-15(17)18/h2-7,10,15,19H,8-9H2,1H3/t10-/m1/s1
InChIKeyKKCONMYEBBRIST-SNVBAGLBSA-N
XLogP5.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.82
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43225293
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-methoxybutan-2-amine
CID 62734092
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783043
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
CID 81378188
5-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103260191
methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81375393
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline
CID 43764511
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 113237061

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine (CID 81375041) is (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine is C[C@@H](NCc1ccc(CSC(F)F)o1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is KKCONMYEBBRIST-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClF2NOS/c1-10(13-4-2-3-5-14(13)16)19-8-11-6-7-12(20-11)9-21-15(17)18/h2-7,10,15,19H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
(1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 331.82 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 81375041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).