2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine

C11H17NOS — CID 117245021

IUPAC2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(C(CN)CSC)cc1
InChIInChI=1S/C11H17NOS/c1-13-11-5-3-9(4-6-11)10(7-12)8-14-2/h3-6,10H,7-8,12H2,1-2H3
InChIKeyUDPYZKOSNBYFOM-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.10
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine

2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine (PubChem CID 117245021) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
PubChem CID117245021
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(C(CN)CSC)cc1
InChIInChI=1S/C11H17NOS/c1-13-11-5-3-9(4-6-11)10(7-12)8-14-2/h3-6,10H,7-8,12H2,1-2H3
InChIKeyUDPYZKOSNBYFOM-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-3-methylsulfanylpropan-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

2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)pent-4-yn-1-amine
CID 84752978
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107529
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 115985624
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine
CID 112509074
[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105286240

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine (CID 117245021) is 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine is COc1ccc(C(CN)CSC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is UDPYZKOSNBYFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-13-11-5-3-9(4-6-11)10(7-12)8-14-2/h3-6,10H,7-8,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine?
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 117245021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).