2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C17H24N2O2 — CID 106606555

IUPAC2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCc1oc2ccccc2c1CN(CCO)CC1CCCN1
InChIInChI=1S/C17H24N2O2/c1-13-16(15-6-2-3-7-17(15)21-13)12-19(9-10-20)11-14-5-4-8-18-14/h2-3,6-7,14,18,20H,4-5,8-12H2,1H3
InChIKeyBABXPYAZHQUHHQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds6

About 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606555) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606555
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCc1oc2ccccc2c1CN(CCO)CC1CCCN1
InChIInChI=1S/C17H24N2O2/c1-13-16(15-6-2-3-7-17(15)21-13)12-19(9-10-20)11-14-5-4-8-18-14/h2-3,6-7,14,18,20H,4-5,8-12H2,1H3
InChIKeyBABXPYAZHQUHHQ-UHFFFAOYSA-N
XLogP2.29
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607083
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 106618138
2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618380
2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606862
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618055
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606555) is 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is Cc1oc2ccccc2c1CN(CCO)CC1CCCN1.
What is the InChIKey of 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is BABXPYAZHQUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-16(15-6-2-3-7-17(15)21-13)12-19(9-10-20)11-14-5-4-8-18-14/h2-3,6-7,14,18,20H,4-5,8-12H2,1H3.
What are the key properties of 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 288.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).