1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol

C16H19NOS — CID 63298820

IUPAC1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol
SMILESOC(CNCc1cc(-c2ccccc2)cs1)C1CC1
InChIInChI=1S/C16H19NOS/c18-16(13-6-7-13)10-17-9-15-8-14(11-19-15)12-4-2-1-3-5-12/h1-5,8,11,13,16-18H,6-7,9-10H2
InChIKeyAAEPYLBQCCBAEE-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.28
Rot. Bonds6

About 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol

1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol (PubChem CID 63298820) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol
PubChem CID63298820
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol
SMILESOC(CNCc1cc(-c2ccccc2)cs1)C1CC1
InChIInChI=1S/C16H19NOS/c18-16(13-6-7-13)10-17-9-15-8-14(11-19-15)12-4-2-1-3-5-12/h1-5,8,11,13,16-18H,6-7,9-10H2
InChIKeyAAEPYLBQCCBAEE-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
1-cyclopentyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425450
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
2-[5-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894664
2-(benzylamino)-1-cyclohexylethanol
CID 14342015
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
2-[(4-phenylthiophen-2-yl)methylamino]propanoic acid
CID 54960058
2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009317
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
CID 54903997

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol (CID 63298820) is 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol is OC(CNCc1cc(-c2ccccc2)cs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol?
The InChIKey is AAEPYLBQCCBAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-16(13-6-7-13)10-17-9-15-8-14(11-19-15)12-4-2-1-3-5-12/h1-5,8,11,13,16-18H,6-7,9-10H2.
What are the key properties of 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol?
1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol has a molecular weight of 273.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 63298820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).