1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine

C16H27NOS — CID 65135466

IUPAC1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H27NOS/c1-12(2)10-19-11-15(17-4)9-14-8-13(3)6-7-16(14)18-5/h6-8,12,15,17H,9-11H2,1-5H3
InChIKeyNMTCDPJLIUPFAL-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.52
Rot. Bonds8

About 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine

1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135466) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135466
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1cc(C)ccc1OC
InChIInChI=1S/C16H27NOS/c1-12(2)10-19-11-15(17-4)9-14-8-13(3)6-7-16(14)18-5/h6-8,12,15,17H,9-11H2,1-5H3
InChIKeyNMTCDPJLIUPFAL-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135698
1-(2,5-dimethylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135800
[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105225439
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine
CID 62715506
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
1-(2-methoxy-5-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 62160862
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348
1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135010
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135466) is 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine is CNC(CSCC(C)C)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is NMTCDPJLIUPFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-12(2)10-19-11-15(17-4)9-14-8-13(3)6-7-16(14)18-5/h6-8,12,15,17H,9-11H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).