[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine

C15H25NOS — CID 103282838

IUPAC[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine
SMILESCCCC(C)COc1cccc(SCC)c1CN
InChIInChI=1S/C15H25NOS/c1-4-7-12(3)11-17-14-8-6-9-15(18-5-2)13(14)10-16/h6,8-9,12H,4-5,7,10-11,16H2,1-3H3
InChIKeySHZKGRNKXAMVMS-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.07
Rot. Bonds8

About [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine

[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine (PubChem CID 103282838) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine
PubChem CID103282838
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine
SMILESCCCC(C)COc1cccc(SCC)c1CN
InChIInChI=1S/C15H25NOS/c1-4-7-12(3)11-17-14-8-6-9-15(18-5-2)13(14)10-16/h6,8-9,12H,4-5,7,10-11,16H2,1-3H3
InChIKeySHZKGRNKXAMVMS-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine
CID 113385381
[2-(2-methylpentoxy)naphthalen-1-yl]methanamine
CID 62266046
[2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine
CID 104559840
2-(2-methylpentoxy)aniline
CID 45075234
[2-ethylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596442
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
CID 103284039
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
2-bromo-6-(2-methylpentoxy)benzoic acid
CID 103285847
2-fluoro-6-(2-methylpentoxy)benzenecarbothioamide
CID 62266227

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine?
The IUPAC name of [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine (CID 103282838) is [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine.
What is the SMILES notation for [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine?
The canonical SMILES for [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine is CCCC(C)COc1cccc(SCC)c1CN.
What is the InChIKey of [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine?
The InChIKey is SHZKGRNKXAMVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-7-12(3)11-17-14-8-6-9-15(18-5-2)13(14)10-16/h6,8-9,12H,4-5,7,10-11,16H2,1-3H3.
What are the key properties of [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine?
[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine is sourced from PubChem (CID 103282838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).