1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine

C13H22N2S — CID 112518298

IUPAC1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCSc1ccc(C(N)CCN(C)C)cc1
InChIInChI=1S/C13H22N2S/c1-4-16-12-7-5-11(6-8-12)13(14)9-10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3
InChIKeyPHIPZVOTBQWNPZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.75
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine

1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112518298) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID112518298
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCSc1ccc(C(N)CCN(C)C)cc1
InChIInChI=1S/C13H22N2S/c1-4-16-12-7-5-11(6-8-12)13(14)9-10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3
InChIKeyPHIPZVOTBQWNPZ-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine 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-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
CID 83935836
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
CID 106848542
1-(4-ethylsulfanylphenyl)hex-5-yn-1-amine
CID 106848699
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
2-[(4-ethylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
CID 3028321

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 112518298) is 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine is CCSc1ccc(C(N)CCN(C)C)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is PHIPZVOTBQWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-16-12-7-5-11(6-8-12)13(14)9-10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine?
1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112518298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).