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

C14H23NS — CID 105091227

IUPACN-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
SMILESCCNC(CCSC)Cc1cccc(C)c1
InChIInChI=1S/C14H23NS/c1-4-15-14(8-9-16-3)11-13-7-5-6-12(2)10-13/h5-7,10,14-15H,4,8-9,11H2,1-3H3
InChIKeyGYWPWVBAOLJRJY-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.27
Rot. Bonds7

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

N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine (PubChem CID 105091227) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
PubChem CID105091227
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
SMILESCCNC(CCSC)Cc1cccc(C)c1
InChIInChI=1S/C14H23NS/c1-4-15-14(8-9-16-3)11-13-7-5-6-12(2)10-13/h5-7,10,14-15H,4,8-9,11H2,1-3H3
InChIKeyGYWPWVBAOLJRJY-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115003052
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646
1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105109535
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64808532
N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 105091118
2-(3-methylanilino)-4-methylsulfanylbutan-1-ol
CID 61048388
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 64808400
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine (CID 105091227) is N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine is CCNC(CCSC)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine?
The InChIKey is GYWPWVBAOLJRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-15-14(8-9-16-3)11-13-7-5-6-12(2)10-13/h5-7,10,14-15H,4,8-9,11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine?
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.27, 7 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)-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 105091227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).