(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol

C15H25NOS — CID 113359068

IUPAC(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol
SMILESCCC(CSC)N(C)c1ccccc1[C@@H](O)CC
InChIInChI=1S/C15H25NOS/c1-5-12(11-18-4)16(3)14-10-8-7-9-13(14)15(17)6-2/h7-10,12,15,17H,5-6,11H2,1-4H3/t12?,15-/m0/s1
InChIKeyVLEMPTJXFLAWKJ-CVRLYYSRSA-N
MW267.44 g/mol
LogP3.71
Rot. Bonds7

About (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol

(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol (PubChem CID 113359068) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol
PubChem CID113359068
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol
SMILESCCC(CSC)N(C)c1ccccc1[C@@H](O)CC
InChIInChI=1S/C15H25NOS/c1-5-12(11-18-4)16(3)14-10-8-7-9-13(14)15(17)6-2/h7-10,12,15,17H,5-6,11H2,1-4H3/t12?,15-/m0/s1
InChIKeyVLEMPTJXFLAWKJ-CVRLYYSRSA-N
XLogP3.71
TPSA23.47 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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminopropyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103959110
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
CID 112661774
2-(2-aminopropyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112666767
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
3-chloro-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 104834825
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]benzoic acid
CID 112663509
1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112661743
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
2-bromo-6-[methyl(1-methylsulfanylbutan-2-yl)amino]benzonitrile
CID 114881311
2-fluoro-6-[methyl(1-methylsulfanylbutan-2-yl)amino]benzonitrile
CID 112551369

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol (CID 113359068) is (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol is CCC(CSC)N(C)c1ccccc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol?
The InChIKey is VLEMPTJXFLAWKJ-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-12(11-18-4)16(3)14-10-8-7-9-13(14)15(17)6-2/h7-10,12,15,17H,5-6,11H2,1-4H3/t12?,15-/m0/s1.
What are the key properties of (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 113359068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).