2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine

C15H19NO — CID 103859108

IUPAC2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine
SMILESCCC1CC1NCc1c(C)oc2ccccc12
InChIInChI=1S/C15H19NO/c1-3-11-8-14(11)16-9-13-10(2)17-15-7-5-4-6-12(13)15/h4-7,11,14,16H,3,8-9H2,1-2H3
InChIKeyWWLDZMKQMWPVCF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.63
Rot. Bonds4

About 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine

2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine (PubChem CID 103859108) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine
PubChem CID103859108
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine
SMILESCCC1CC1NCc1c(C)oc2ccccc12
InChIInChI=1S/C15H19NO/c1-3-11-8-14(11)16-9-13-10(2)17-15-7-5-4-6-12(13)15/h4-7,11,14,16H,3,8-9H2,1-2H3
InChIKeyWWLDZMKQMWPVCF-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 113341551
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
3,3-dimethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopentan-1-amine
CID 114544332
3-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 64921153
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103859053
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
CID 115774516
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 82731871
(2R,4R)-4-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-6-oxopiperidine-2-carboxamide
CID 154843368

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine (CID 103859108) is 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine is CCC1CC1NCc1c(C)oc2ccccc12.
What is the InChIKey of 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is WWLDZMKQMWPVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-11-8-14(11)16-9-13-10(2)17-15-7-5-4-6-12(13)15/h4-7,11,14,16H,3,8-9H2,1-2H3.
What are the key properties of 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine?
2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 103859108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).