1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol

C16H27NO2S — CID 115898094

IUPAC1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
SMILESCCC(CSC)N(C)CC(O)COCc1ccccc1
InChIInChI=1S/C16H27NO2S/c1-4-15(13-20-3)17(2)10-16(18)12-19-11-14-8-6-5-7-9-14/h5-9,15-16,18H,4,10-13H2,1-3H3
InChIKeyDSRPHSQRRDOOIY-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.64
Rot. Bonds10

About 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol

1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 115898094) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID115898094
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
SMILESCCC(CSC)N(C)CC(O)COCc1ccccc1
InChIInChI=1S/C16H27NO2S/c1-4-15(13-20-3)17(2)10-16(18)12-19-11-14-8-6-5-7-9-14/h5-9,15-16,18H,4,10-13H2,1-3H3
InChIKeyDSRPHSQRRDOOIY-UHFFFAOYSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629005
3-(phenylmethoxymethyl)heptan-4-ol
CID 11333834
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007544
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166
2-phenylmethoxy-1-tributylstannylethanol
CID 10551127
1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713472

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol (CID 115898094) is 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol is CCC(CSC)N(C)CC(O)COCc1ccccc1.
What is the InChIKey of 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is DSRPHSQRRDOOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-4-15(13-20-3)17(2)10-16(18)12-19-11-14-8-6-5-7-9-14/h5-9,15-16,18H,4,10-13H2,1-3H3.
What are the key properties of 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol?
1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 297.46 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 115898094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).