2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol

C16H19NOS — CID 106434767

IUPAC2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1ccc(C2CC2)cc1)c1ccsc1
InChIInChI=1S/C16H19NOS/c18-16(15-7-8-19-11-15)10-17-9-12-1-3-13(4-2-12)14-5-6-14/h1-4,7-8,11,14,16-18H,5-6,9-10H2
InChIKeyWBWWLCQAXGJOKJ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol

2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 106434767) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
PubChem CID106434767
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1ccc(C2CC2)cc1)c1ccsc1
InChIInChI=1S/C16H19NOS/c18-16(15-7-8-19-11-15)10-17-9-12-1-3-13(4-2-12)14-5-6-14/h1-4,7-8,11,14,16-18H,5-6,9-10H2
InChIKeyWBWWLCQAXGJOKJ-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 111467090
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
(R)-(4-cyclopropylphenyl)-thiophen-3-ylmethanol
CID 124512337
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-fluoro-5-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]benzonitrile
CID 106434833
2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
CID 102609668

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol (CID 106434767) is 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol is OC(CNCc1ccc(C2CC2)cc1)c1ccsc1.
What is the InChIKey of 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is WBWWLCQAXGJOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-16(15-7-8-19-11-15)10-17-9-12-1-3-13(4-2-12)14-5-6-14/h1-4,7-8,11,14,16-18H,5-6,9-10H2.
What are the key properties of 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol?
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 273.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).