1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine

C14H23NOS — CID 115721693

IUPAC1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)CSC
InChIInChI=1S/C14H23NOS/c1-11(15-12(2)10-17-4)9-13-7-5-6-8-14(13)16-3/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyHHMQNSIUZJNJBY-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.97
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine

1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine (PubChem CID 115721693) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
PubChem CID115721693
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)CSC
InChIInChI=1S/C14H23NOS/c1-11(15-12(2)10-17-4)9-13-7-5-6-8-14(13)16-3/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyHHMQNSIUZJNJBY-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 114830832
3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
CID 103785101
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine (CID 115721693) is 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine is COc1ccccc1CC(C)NC(C)CSC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine?
The InChIKey is HHMQNSIUZJNJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(15-12(2)10-17-4)9-13-7-5-6-8-14(13)16-3/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine?
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine is sourced from PubChem (CID 115721693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).