4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine

C15H25NOS — CID 115640046

IUPAC4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCSCCC(C)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-12(2)17-15-7-5-14(6-8-15)11-16-13(3)9-10-18-4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyNFVWDOZRBUVQQB-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.70
Rot. Bonds8

About 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine

4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine (PubChem CID 115640046) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
PubChem CID115640046
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCSCCC(C)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-12(2)17-15-7-5-14(6-8-15)11-16-13(3)9-10-18-4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyNFVWDOZRBUVQQB-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-2-amine
CID 115639972
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 115639283
N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide
CID 115639969
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
CID 43756540
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223769
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
N-[(4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415274
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640008

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The IUPAC name of 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine (CID 115640046) is 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine is CSCCC(C)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The InChIKey is NFVWDOZRBUVQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)17-15-7-5-14(6-8-15)11-16-13(3)9-10-18-4/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine?
4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 115640046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).