3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine

C14H23NS — CID 43193079

IUPAC3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
SMILESCSc1ccc(C(C)NCCC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)9-10-15-12(3)13-5-7-14(16-4)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyGZHZJBGZMVTXGO-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.11
Rot. Bonds6

About 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine

3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine (PubChem CID 43193079) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
PubChem CID43193079
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
SMILESCSc1ccc(C(C)NCCC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)9-10-15-12(3)13-5-7-14(16-4)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyGZHZJBGZMVTXGO-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
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1-(4-methylsulfanylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine (CID 43193079) is 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine is CSc1ccc(C(C)NCCC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine?
The InChIKey is GZHZJBGZMVTXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)9-10-15-12(3)13-5-7-14(16-4)8-6-13/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine?
3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 43193079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).