1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine

C16H18FNOS — CID 66070984

IUPAC1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)CSc1ccc(F)cc1
InChIInChI=1S/C16H18FNOS/c1-19-16-5-3-2-4-12(16)10-14(18)11-20-15-8-6-13(17)7-9-15/h2-9,14H,10-11,18H2,1H3
InChIKeyRDHXKERJZNHGCZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.50
Rot. Bonds6

About 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine

1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine (PubChem CID 66070984) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
PubChem CID66070984
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)CSc1ccc(F)cc1
InChIInChI=1S/C16H18FNOS/c1-19-16-5-3-2-4-12(16)10-14(18)11-20-15-8-6-13(17)7-9-15/h2-9,14H,10-11,18H2,1H3
InChIKeyRDHXKERJZNHGCZ-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
CID 65128844
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(2,6-difluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 114932196
1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105374048
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 103039879

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine (CID 66070984) is 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(N)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine?
The InChIKey is RDHXKERJZNHGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-19-16-5-3-2-4-12(16)10-14(18)11-20-15-8-6-13(17)7-9-15/h2-9,14H,10-11,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine?
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine has a molecular weight of 291.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 66070984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).