1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine

C13H21NS — CID 65128454

IUPAC1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCCSCC(Cc1ccc(C)cc1)NC
InChIInChI=1S/C13H21NS/c1-4-15-10-13(14-3)9-12-7-5-11(2)6-8-12/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeySQRFMRCFBFGCKE-UHFFFAOYSA-N
MW223.38 g/mol
LogP2.88
Rot. Bonds6

About 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine

1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 65128454) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
PubChem CID65128454
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCCSCC(Cc1ccc(C)cc1)NC
InChIInChI=1S/C13H21NS/c1-4-15-10-13(14-3)9-12-7-5-11(2)6-8-12/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeySQRFMRCFBFGCKE-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66053086
1-ethylsulfanyl-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65127657
N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
CID 65129089
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
4-(methylamino)-5-(4-methylphenyl)pentanal
CID 144898654
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 55093955

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine (CID 65128454) is 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine is CCSCC(Cc1ccc(C)cc1)NC.
What is the InChIKey of 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is SQRFMRCFBFGCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-15-10-13(14-3)9-12-7-5-11(2)6-8-12/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine?
1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 223.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 65128454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).