4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine

C18H23NOS — CID 66086597

IUPAC4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine
SMILESCOc1ccc(CCC(N)CSc2cccc(C)c2)cc1
InChIInChI=1S/C18H23NOS/c1-14-4-3-5-18(12-14)21-13-16(19)9-6-15-7-10-17(20-2)11-8-15/h3-5,7-8,10-12,16H,6,9,13,19H2,1-2H3
InChIKeyMWGJUNYDFXUSKF-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.06
Rot. Bonds7

About 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine

4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine (PubChem CID 66086597) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine
PubChem CID66086597
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine
SMILESCOc1ccc(CCC(N)CSc2cccc(C)c2)cc1
InChIInChI=1S/C18H23NOS/c1-14-4-3-5-18(12-14)21-13-16(19)9-6-15-7-10-17(20-2)11-8-15/h3-5,7-8,10-12,16H,6,9,13,19H2,1-2H3
InChIKeyMWGJUNYDFXUSKF-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1-phenylsulfanylbutan-2-amine
CID 65444591
1-(3-methylphenyl)sulfanyldodecan-2-amine
CID 66087954
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine
CID 65447240
1-(3-ethylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 105018704
1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
CID 105086643
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 103395624
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine (CID 66086597) is 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine is COc1ccc(CCC(N)CSc2cccc(C)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine?
The InChIKey is MWGJUNYDFXUSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14-4-3-5-18(12-14)21-13-16(19)9-6-15-7-10-17(20-2)11-8-15/h3-5,7-8,10-12,16H,6,9,13,19H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine?
4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine is sourced from PubChem (CID 66086597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).