2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine

C16H18ClNOS — CID 64619348

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)Sc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-11(20-15-6-4-3-5-14(15)17)16(18)12-7-9-13(19-2)10-8-12/h3-11,16H,18H2,1-2H3
InChIKeyVOKAUMGTPACTLT-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.53
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 64619348) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
PubChem CID64619348
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)Sc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNOS/c1-11(20-15-6-4-3-5-14(15)17)16(18)12-7-9-13(19-2)10-8-12/h3-11,16H,18H2,1-2H3
InChIKeyVOKAUMGTPACTLT-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
4-[1-(2-chlorophenyl)sulfanylethyl]aniline
CID 61263538
1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 64627830
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine
CID 64620589
1-(4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 64625732
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64622029
2-[1-amino-1-(4-methoxyphenyl)propan-2-yl]sulfanylacetamide
CID 114231462
1-(2-chlorophenyl)ethanol;1-(4-methoxyphenyl)ethanol
CID 166540851

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine (CID 64619348) is 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine is COc1ccc(C(N)C(C)Sc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is VOKAUMGTPACTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-11(20-15-6-4-3-5-14(15)17)16(18)12-7-9-13(19-2)10-8-12/h3-11,16H,18H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine?
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 307.85 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 64619348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).