2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine

C14H23NOS — CID 117035507

IUPAC2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
SMILESCNCC(Sc1ccc(OC)c(C)c1)C(C)C
InChIInChI=1S/C14H23NOS/c1-10(2)14(9-15-4)17-12-6-7-13(16-5)11(3)8-12/h6-8,10,14-15H,9H2,1-5H3
InChIKeySBUVNZQJXXHDBR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.34
Rot. Bonds6

About 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine

2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine (PubChem CID 117035507) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
PubChem CID117035507
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
SMILESCNCC(Sc1ccc(OC)c(C)c1)C(C)C
InChIInChI=1S/C14H23NOS/c1-10(2)14(9-15-4)17-12-6-7-13(16-5)11(3)8-12/h6-8,10,14-15H,9H2,1-5H3
InChIKeySBUVNZQJXXHDBR-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
CID 117032557
2-(4-methoxy-3-methylphenyl)sulfanyl-3-methylbutanenitrile
CID 117035623
(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006
2-(3,4-dimethoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035475
2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
CID 117035500
4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
CID 170743959
3-(4-methoxy-3-methylphenyl)sulfanyl-2,2-dimethylpropan-1-amine
CID 117032776
2-(4-methoxy-3-methylphenyl)sulfanylbutanoic acid
CID 117035324
1-methoxy-2-methyl-4-(methyldisulfanyl)benzene
CID 58500296
S-(4-methoxy-3-methylphenyl) methanethioate
CID 117033657
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032941

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine (CID 117035507) is 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine is CNCC(Sc1ccc(OC)c(C)c1)C(C)C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine?
The InChIKey is SBUVNZQJXXHDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)14(9-15-4)17-12-6-7-13(16-5)11(3)8-12/h6-8,10,14-15H,9H2,1-5H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine?
2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 117035507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).