1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine

C13H21NOS — CID 60697408

IUPAC1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
SMILESCCC(NCCSC)c1ccc(OC)cc1
InChIInChI=1S/C13H21NOS/c1-4-13(14-9-10-16-3)11-5-7-12(15-2)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyBQRNDOCOOZTCEY-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.10
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine

1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine (PubChem CID 60697408) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
PubChem CID60697408
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
SMILESCCC(NCCSC)c1ccc(OC)cc1
InChIInChI=1S/C13H21NOS/c1-4-13(14-9-10-16-3)11-5-7-12(15-2)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyBQRNDOCOOZTCEY-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-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-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981732
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63982854
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105286240
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine (CID 60697408) is 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine is CCC(NCCSC)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine?
The InChIKey is BQRNDOCOOZTCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-13(14-9-10-16-3)11-5-7-12(15-2)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine?
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 60697408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).