1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine

C15H25NOS — CID 65136479

IUPAC1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
SMILESCCC(C)SCC(N)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H25NOS/c1-5-12(3)18-10-14(16)9-13-8-11(2)6-7-15(13)17-4/h6-8,12,14H,5,9-10,16H2,1-4H3
InChIKeyKNFGWPOUPCHMQU-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.41
Rot. Bonds7

About 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine

1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine (PubChem CID 65136479) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
PubChem CID65136479
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
SMILESCCC(C)SCC(N)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H25NOS/c1-5-12(3)18-10-14(16)9-13-8-11(2)6-7-15(13)17-4/h6-8,12,14H,5,9-10,16H2,1-4H3
InChIKeyKNFGWPOUPCHMQU-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 66139563
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
1-(5-ethylfuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826366
[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105225439
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine (CID 65136479) is 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine is CCC(C)SCC(N)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The InChIKey is KNFGWPOUPCHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-12(3)18-10-14(16)9-13-8-11(2)6-7-15(13)17-4/h6-8,12,14H,5,9-10,16H2,1-4H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine?
1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine is sourced from PubChem (CID 65136479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).