N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine

C15H25NOS — CID 63981732

IUPACN-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCCC(NCC(C)CSC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NOS/c1-5-15(16-10-12(2)11-18-4)13-6-8-14(17-3)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyBCYYRSPOQMYDDB-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.73
Rot. Bonds8

About N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine

N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63981732) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63981732
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCCC(NCC(C)CSC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NOS/c1-5-15(16-10-12(2)11-18-4)13-6-8-14(17-3)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyBCYYRSPOQMYDDB-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine
CID 63980863
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
1-[1-(4-methoxyphenyl)propylamino]-4-methylpentan-2-ol
CID 103779714
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine (CID 63981732) is N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine is CCC(NCC(C)CSC)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is BCYYRSPOQMYDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-15(16-10-12(2)11-18-4)13-6-8-14(17-3)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine?
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63981732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).