4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol

C16H24N2O2 — CID 120962047

IUPAC4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESCC1(C)Cc2cc(CNCC3CNCC3O)ccc2O1
InChIInChI=1S/C16H24N2O2/c1-16(2)6-12-5-11(3-4-15(12)20-16)7-17-8-13-9-18-10-14(13)19/h3-5,13-14,17-19H,6-10H2,1-2H3
InChIKeyGRWBIIHSTLFYIX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.07
Rot. Bonds4

About 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol

4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962047) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962047
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESCC1(C)Cc2cc(CNCC3CNCC3O)ccc2O1
InChIInChI=1S/C16H24N2O2/c1-16(2)6-12-5-11(3-4-15(12)20-16)7-17-8-13-9-18-10-14(13)19/h3-5,13-14,17-19H,6-10H2,1-2H3
InChIKeyGRWBIIHSTLFYIX-UHFFFAOYSA-N
XLogP1.07
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylsulfanylethanamine
CID 63378459
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]prop-2-en-1-amine
CID 115645149
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799
2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115614307
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
3-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115639598
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 119122037
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol (CID 120962047) is 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol is CC1(C)Cc2cc(CNCC3CNCC3O)ccc2O1.
What is the InChIKey of 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is GRWBIIHSTLFYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)6-12-5-11(3-4-15(12)20-16)7-17-8-13-9-18-10-14(13)19/h3-5,13-14,17-19H,6-10H2,1-2H3.
What are the key properties of 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 276.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).