2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine

C14H15F2NOS — CID 62576351

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccco1)Sc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NOS/c1-10(8-17-9-11-3-2-6-18-11)19-12-4-5-13(15)14(16)7-12/h2-7,10,17H,8-9H2,1H3
InChIKeyWOIATWHGKABWLD-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.83
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine

2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 62576351) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID62576351
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccco1)Sc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NOS/c1-10(8-17-9-11-3-2-6-18-11)19-12-4-5-13(15)14(16)7-12/h2-7,10,17H,8-9H2,1H3
InChIKeyWOIATWHGKABWLD-UHFFFAOYSA-N
XLogP3.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859
N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782540
2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62583352
N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925818
N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62579170
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
CID 55092341
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 84753814

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine (CID 62576351) is 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine is CC(CNCc1ccco1)Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is WOIATWHGKABWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-10(8-17-9-11-3-2-6-18-11)19-12-4-5-13(15)14(16)7-12/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 283.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62576351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).