N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine

C12H19NS — CID 64628097

IUPACN-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(C)CSc1cccc(C)c1
InChIInChI=1S/C12H19NS/c1-4-13-11(3)9-14-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3
InChIKeyZYHSIMIROWQBPW-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.09
Rot. Bonds5

About N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine

N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine (PubChem CID 64628097) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
PubChem CID64628097
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(C)CSc1cccc(C)c1
InChIInChI=1S/C12H19NS/c1-4-13-11(3)9-14-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3
InChIKeyZYHSIMIROWQBPW-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
N-ethyl-5-(3-methylphenyl)sulfanylpentan-2-amine
CID 64628101
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
CID 66088364
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine (CID 64628097) is N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine is CCNC(C)CSc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is ZYHSIMIROWQBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-13-11(3)9-14-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine?
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 64628097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).