1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine

C17H20ClNOS — CID 66139563

IUPAC1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
SMILESCOc1ccc(C)cc1CC(N)CSc1ccccc1Cl
InChIInChI=1S/C17H20ClNOS/c1-12-7-8-16(20-2)13(9-12)10-14(19)11-21-17-6-4-3-5-15(17)18/h3-9,14H,10-11,19H2,1-2H3
InChIKeyOAONJAZZJLYQCK-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.32
Rot. Bonds6

About 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine

1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine (PubChem CID 66139563) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
PubChem CID66139563
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
SMILESCOc1ccc(C)cc1CC(N)CSc1ccccc1Cl
InChIInChI=1S/C17H20ClNOS/c1-12-7-8-16(20-2)13(9-12)10-14(19)11-21-17-6-4-3-5-15(17)18/h3-9,14H,10-11,19H2,1-2H3
InChIKeyOAONJAZZJLYQCK-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 65136479
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
[1-(2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105211135
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33105271
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
3-chloro-4-[(2-methoxy-5-methylphenyl)methylsulfanyl]aniline
CID 43305207

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine (CID 66139563) is 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine is COc1ccc(C)cc1CC(N)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The InChIKey is OAONJAZZJLYQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-12-7-8-16(20-2)13(9-12)10-14(19)11-21-17-6-4-3-5-15(17)18/h3-9,14H,10-11,19H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine has a molecular weight of 321.87 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine is sourced from PubChem (CID 66139563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).