1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine

C16H17ClFNS — CID 102857633

IUPAC1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H17ClFNS/c1-19-13(11-20-14-7-3-2-4-8-14)10-12-6-5-9-15(17)16(12)18/h2-9,13,19H,10-11H2,1H3
InChIKeyDCXZUVLNICQXEQ-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.40
Rot. Bonds6

About 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine

1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine (PubChem CID 102857633) has the molecular formula C16H17ClFNS and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
PubChem CID102857633
Molecular FormulaC16H17ClFNS
Molecular Weight309.84 g/mol
Exact Mass309.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H17ClFNS/c1-19-13(11-20-14-7-3-2-4-8-14)10-12-6-5-9-15(17)16(12)18/h2-9,13,19H,10-11H2,1H3
InChIKeyDCXZUVLNICQXEQ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 102867810
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107308752
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 107308754
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(3-chloro-2-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 102857502
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine (CID 102857633) is 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine is CNC(CSc1ccccc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The InChIKey is DCXZUVLNICQXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNS/c1-19-13(11-20-14-7-3-2-4-8-14)10-12-6-5-9-15(17)16(12)18/h2-9,13,19H,10-11H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine has a molecular weight of 309.84 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 102857633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).