1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine

C17H20FNOS — CID 103395624

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1cccc(C)c1)c1ccc(OC)cc1F
InChIInChI=1S/C17H20FNOS/c1-12-5-4-6-14(9-12)21-11-17(19-2)15-8-7-13(20-3)10-16(15)18/h4-10,17,19H,11H2,1-3H3
InChIKeyORVSAMDYDPWQDU-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.20
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine

1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 103395624) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
PubChem CID103395624
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1cccc(C)c1)c1ccc(OC)cc1F
InChIInChI=1S/C17H20FNOS/c1-12-5-4-6-14(9-12)21-11-17(19-2)15-8-7-13(20-3)10-16(15)18/h4-10,17,19H,11H2,1-3H3
InChIKeyORVSAMDYDPWQDU-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 114856059
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 103395769
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine (CID 103395624) is 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine is CNC(CSc1cccc(C)c1)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is ORVSAMDYDPWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-12-5-4-6-14(9-12)21-11-17(19-2)15-8-7-13(20-3)10-16(15)18/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 305.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 103395624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).