N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine

C19H25NS — CID 66087202

IUPACN-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1cccc(C)c1)Cc1ccc(C)cc1
InChIInChI=1S/C19H25NS/c1-4-20-18(13-17-10-8-15(2)9-11-17)14-21-19-7-5-6-16(3)12-19/h5-12,18,20H,4,13-14H2,1-3H3
InChIKeyAMWDQFHPHVYPHB-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.62
Rot. Bonds7

About N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine

N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66087202) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
PubChem CID66087202
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1cccc(C)c1)Cc1ccc(C)cc1
InChIInChI=1S/C19H25NS/c1-4-20-18(13-17-10-8-15(2)9-11-17)14-21-19-7-5-6-16(3)12-19/h5-12,18,20H,4,13-14H2,1-3H3
InChIKeyAMWDQFHPHVYPHB-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
CID 66088364
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
CID 79575255
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 79752662
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine (CID 66087202) is N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine is CCNC(CSc1cccc(C)c1)Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is AMWDQFHPHVYPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-20-18(13-17-10-8-15(2)9-11-17)14-21-19-7-5-6-16(3)12-19/h5-12,18,20H,4,13-14H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine?
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66087202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).