1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine

C15H25NOS — CID 65135010

IUPAC1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C15H25NOS/c1-12(2)10-18-11-14(16-3)8-13-6-5-7-15(9-13)17-4/h5-7,9,12,14,16H,8,10-11H2,1-4H3
InChIKeyPGEWJWLTVVZZMN-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.21
Rot. Bonds8

About 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine

1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135010) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135010
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C15H25NOS/c1-12(2)10-18-11-14(16-3)8-13-6-5-7-15(9-13)17-4/h5-7,9,12,14,16H,8,10-11H2,1-4H3
InChIKeyPGEWJWLTVVZZMN-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
5-methoxy-1-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 105133972
1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine
CID 62309396
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 82923071
1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79054097
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135010) is 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine is CNC(CSCC(C)C)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is PGEWJWLTVVZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)10-18-11-14(16-3)8-13-6-5-7-15(9-13)17-4/h5-7,9,12,14,16H,8,10-11H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).