2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol

C15H25NOS — CID 115252075

IUPAC2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol
SMILESCCSc1ccc(CNCC(CO)C(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-4-18-15-7-5-13(6-8-15)9-16-10-14(11-17)12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyQFZYUYKSIGFOBU-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.15
Rot. Bonds8

About 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol

2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol (PubChem CID 115252075) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol
PubChem CID115252075
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol
SMILESCCSc1ccc(CNCC(CO)C(C)C)cc1
InChIInChI=1S/C15H25NOS/c1-4-18-15-7-5-13(6-8-15)9-16-10-14(11-17)12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyQFZYUYKSIGFOBU-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116931016
N'-[(4-ethylsulfanylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198540
2-amino-3-[(4-ethylsulfanylphenyl)methylamino]propanoic acid
CID 115240702
4-[(4-ethylsulfanylphenyl)methylamino]butan-1-ol
CID 115217611
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252092
2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol
CID 83935827
N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442907
2,3-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 114497087
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
2-[4-[(2-methylpropylamino)methyl]phenyl]sulfanylacetamide
CID 113384918
2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
CID 116959909

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol (CID 115252075) is 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol is CCSc1ccc(CNCC(CO)C(C)C)cc1.
What is the InChIKey of 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol?
The InChIKey is QFZYUYKSIGFOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-18-15-7-5-13(6-8-15)9-16-10-14(11-17)12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3.
What are the key properties of 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol?
2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).