2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol

C17H25NO2 — CID 111977137

IUPAC2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol
SMILESCC1(C)Cc2cc(CNC(C)(CO)C3CC3)ccc2O1
InChIInChI=1S/C17H25NO2/c1-16(2)9-13-8-12(4-7-15(13)20-16)10-18-17(3,11-19)14-5-6-14/h4,7-8,14,18-19H,5-6,9-11H2,1-3H3
InChIKeyOEDYHDIEFUHYOY-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.65
Rot. Bonds5

About 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol

2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol (PubChem CID 111977137) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol
PubChem CID111977137
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol
SMILESCC1(C)Cc2cc(CNC(C)(CO)C3CC3)ccc2O1
InChIInChI=1S/C17H25NO2/c1-16(2)9-13-8-12(4-7-15(13)20-16)10-18-17(3,11-19)14-5-6-14/h4,7-8,14,18-19H,5-6,9-11H2,1-3H3
InChIKeyOEDYHDIEFUHYOY-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R,5R)-2-[bis(4-fluorophenyl)methyl]-5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxan-4-ol
CID 117642638
2-[5-(2-Propan-2-ylphenoxy)pentylamino]ethanol
CID 2249073
(1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine
CID 58035585
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine
CID 58035595
N-((2,3-dihydro-1-benzofuran-5-yl)methyl)cyclopentanamine
CID 43803961
CID 9549115
CID 9549115
US9872852, Example 102
CID 117941865
Ethanol, 2-(((2,3-dihydro-2-ethyl-3-benzofuranyl)methyl)amino)-
CID 3021956
2-(Hydroxymethyl)-2-[(4-nonoxyphenyl)methylamino]propane-1,3-diol;hydrochloride
CID 71612669
2-(Hydroxymethyl)-2-[(4-nonoxyphenyl)methylamino]propane-1,3-diol
CID 71612670
2-[(4-Decoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol;hydrochloride
CID 71612671
2-[(4-Decoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 71612672

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol (CID 111977137) is 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol is CC1(C)Cc2cc(CNC(C)(CO)C3CC3)ccc2O1.
What is the InChIKey of 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol?
The InChIKey is OEDYHDIEFUHYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)9-13-8-12(4-7-15(13)20-16)10-18-17(3,11-19)14-5-6-14/h4,7-8,14,18-19H,5-6,9-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol?
2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 111977137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).