N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine

C15H19NO — CID 103826314

IUPACN-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
SMILESCC(C)(NCc1coc2ccccc12)C1CC1
InChIInChI=1S/C15H19NO/c1-15(2,12-7-8-12)16-9-11-10-17-14-6-4-3-5-13(11)14/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyHOVPGKSRAXLWDZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.71
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine

N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine (PubChem CID 103826314) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
PubChem CID103826314
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
SMILESCC(C)(NCc1coc2ccccc12)C1CC1
InChIInChI=1S/C15H19NO/c1-15(2,12-7-8-12)16-9-11-10-17-14-6-4-3-5-13(11)14/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyHOVPGKSRAXLWDZ-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132762
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol
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N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
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CID 83009936

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine (CID 103826314) is N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine is CC(C)(NCc1coc2ccccc12)C1CC1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine?
The InChIKey is HOVPGKSRAXLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,12-7-8-12)16-9-11-10-17-14-6-4-3-5-13(11)14/h3-6,10,12,16H,7-9H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine?
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 103826314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).