1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine

C17H21NOS — CID 63818198

IUPAC1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1Sc1ccccc1OC
InChIInChI=1S/C17H21NOS/c1-3-14(18)12-13-8-4-6-10-16(13)20-17-11-7-5-9-15(17)19-2/h4-11,14H,3,12,18H2,1-2H3
InChIKeyPVNGMFOWTMCQFG-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.13
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine

1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine (PubChem CID 63818198) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
PubChem CID63818198
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1Sc1ccccc1OC
InChIInChI=1S/C17H21NOS/c1-3-14(18)12-13-8-4-6-10-16(13)20-17-11-7-5-9-15(17)19-2/h4-11,14H,3,12,18H2,1-2H3
InChIKeyPVNGMFOWTMCQFG-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
1-[2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 63817901
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114001168
1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
CID 65128844
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
CID 55238932
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
methyl 2-[2-(2-aminobutyl)phenoxy]acetate
CID 54930626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine?
The IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine (CID 63818198) is 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine is CCC(N)Cc1ccccc1Sc1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine?
The InChIKey is PVNGMFOWTMCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-14(18)12-13-8-4-6-10-16(13)20-17-11-7-5-9-15(17)19-2/h4-11,14H,3,12,18H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine?
1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine is sourced from PubChem (CID 63818198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).