2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine

C15H21NO — CID 83154976

IUPAC2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
SMILESCNC(c1ccc2c(c1)CCO2)C(C)C1CC1
InChIInChI=1S/C15H21NO/c1-10(11-3-4-11)15(16-2)13-5-6-14-12(9-13)7-8-17-14/h5-6,9-11,15-16H,3-4,7-8H2,1-2H3
InChIKeySFOFPNVNACSQOO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.93
Rot. Bonds4

About 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine

2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine (PubChem CID 83154976) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
PubChem CID83154976
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
SMILESCNC(c1ccc2c(c1)CCO2)C(C)C1CC1
InChIInChI=1S/C15H21NO/c1-10(11-3-4-11)15(16-2)13-5-6-14-12(9-13)7-8-17-14/h5-6,9-11,15-16H,3-4,7-8H2,1-2H3
InChIKeySFOFPNVNACSQOO-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140
4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine
CID 116952305
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
2-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]-3-methylbutanenitrile
CID 116960717
[2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232601
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 104542827
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43482564
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542585

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine (CID 83154976) is 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine is CNC(c1ccc2c(c1)CCO2)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The InChIKey is SFOFPNVNACSQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(11-3-4-11)15(16-2)13-5-6-14-12(9-13)7-8-17-14/h5-6,9-11,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine?
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 83154976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).