1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine

C14H23NOS — CID 116831508

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(C(C)C)cc1C(N)CCSC
InChIInChI=1S/C14H23NOS/c1-10(2)11-5-6-14(16-3)12(9-11)13(15)7-8-17-4/h5-6,9-10,13H,7-8,15H2,1-4H3
InChIKeyKDMSNLSIXJWVAR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.57
Rot. Bonds6

About 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine

1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine (PubChem CID 116831508) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
PubChem CID116831508
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(C(C)C)cc1C(N)CCSC
InChIInChI=1S/C14H23NOS/c1-10(2)11-5-6-14(16-3)12(9-11)13(15)7-8-17-4/h5-6,9-10,13H,7-8,15H2,1-4H3
InChIKeyKDMSNLSIXJWVAR-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 105141041
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
CID 171216475
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine (CID 116831508) is 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine is COc1ccc(C(C)C)cc1C(N)CCSC.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is KDMSNLSIXJWVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)11-5-6-14(16-3)12(9-11)13(15)7-8-17-4/h5-6,9-10,13H,7-8,15H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine?
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 116831508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).