2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine

C15H21NO — CID 114108224

IUPAC2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine
SMILESCCC1CC1NCC1Cc2cc(C)ccc2O1
InChIInChI=1S/C15H21NO/c1-3-11-8-14(11)16-9-13-7-12-6-10(2)4-5-15(12)17-13/h4-6,11,13-14,16H,3,7-9H2,1-2H3
InChIKeyAUKYPAGDRYANFX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds4

About 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine

2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine (PubChem CID 114108224) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine
PubChem CID114108224
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine
SMILESCCC1CC1NCC1Cc2cc(C)ccc2O1
InChIInChI=1S/C15H21NO/c1-3-11-8-14(11)16-9-13-7-12-6-10(2)4-5-15(12)17-13/h4-6,11,13-14,16H,3,7-9H2,1-2H3
InChIKeyAUKYPAGDRYANFX-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
CID 66360581
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 66360377
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361
2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66360193
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
N-[(2-ethylphenyl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66360586
1-chloro-2-(chloromethyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 107867024
1-N,1-N-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 82939013

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine (CID 114108224) is 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine is CCC1CC1NCC1Cc2cc(C)ccc2O1.
What is the InChIKey of 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is AUKYPAGDRYANFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-11-8-14(11)16-9-13-7-12-6-10(2)4-5-15(12)17-13/h4-6,11,13-14,16H,3,7-9H2,1-2H3.
What are the key properties of 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine?
2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 114108224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).