N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine

C15H25NOS — CID 113262469

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCOc1ccc(C)cc1C(C)NCC(C)(C)SC
InChIInChI=1S/C15H25NOS/c1-11-7-8-14(17-5)13(9-11)12(2)16-10-15(3,4)18-6/h7-9,12,16H,10H2,1-6H3
InChIKeyJCTYCEVTLDFGLX-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.80
Rot. Bonds6

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 113262469) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID113262469
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCOc1ccc(C)cc1C(C)NCC(C)(C)SC
InChIInChI=1S/C15H25NOS/c1-11-7-8-14(17-5)13(9-11)12(2)16-10-15(3,4)18-6/h7-9,12,16H,10H2,1-6H3
InChIKeyJCTYCEVTLDFGLX-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192134
3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 104536098
1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
CID 103784409
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol
CID 113429395
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-(2-methoxy-5-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43781433

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine (CID 113262469) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine is COc1ccc(C)cc1C(C)NCC(C)(C)SC.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is JCTYCEVTLDFGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11-7-8-14(17-5)13(9-11)12(2)16-10-15(3,4)18-6/h7-9,12,16H,10H2,1-6H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 113262469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).