2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol

C16H21NOS — CID 55167666

IUPAC2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1cc(CNC(CO)Cc2ccccc2)c(C)s1
InChIInChI=1S/C16H21NOS/c1-12-8-15(13(2)19-12)10-17-16(11-18)9-14-6-4-3-5-7-14/h3-8,16-18H,9-11H2,1-2H3
InChIKeyXEFRYGPXLVGBAP-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.06
Rot. Bonds6

About 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol

2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 55167666) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID55167666
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1cc(CNC(CO)Cc2ccccc2)c(C)s1
InChIInChI=1S/C16H21NOS/c1-12-8-15(13(2)19-12)10-17-16(11-18)9-14-6-4-3-5-7-14/h3-8,16-18H,9-11H2,1-2H3
InChIKeyXEFRYGPXLVGBAP-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 102835691
(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 102675582
4-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103251242
4-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzene-1,2,3-triol
CID 107860798
(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922865
(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922908
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 63260764

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol (CID 55167666) is 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol is Cc1cc(CNC(CO)Cc2ccccc2)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is XEFRYGPXLVGBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-8-15(13(2)19-12)10-17-16(11-18)9-14-6-4-3-5-7-14/h3-8,16-18H,9-11H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol?
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 275.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 55167666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).