N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine

C19H21NO — CID 61032911

IUPACN-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine
SMILESCC1Cc2cc(-c3ccccc3CNC3CC3)ccc2O1
InChIInChI=1S/C19H21NO/c1-13-10-16-11-14(6-9-19(16)21-13)18-5-3-2-4-15(18)12-20-17-7-8-17/h2-6,9,11,13,17,20H,7-8,10,12H2,1H3
InChIKeyCJGQBYGMZSNXFT-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.93
Rot. Bonds4

About N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine

N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine (PubChem CID 61032911) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine
PubChem CID61032911
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine
SMILESCC1Cc2cc(-c3ccccc3CNC3CC3)ccc2O1
InChIInChI=1S/C19H21NO/c1-13-10-16-11-14(6-9-19(16)21-13)18-5-3-2-4-15(18)12-20-17-7-8-17/h2-6,9,11,13,17,20H,7-8,10,12H2,1H3
InChIKeyCJGQBYGMZSNXFT-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine (CID 61032911) is N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine is CC1Cc2cc(-c3ccccc3CNC3CC3)ccc2O1.
What is the InChIKey of N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is CJGQBYGMZSNXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-10-16-11-14(6-9-19(16)21-13)18-5-3-2-4-15(18)12-20-17-7-8-17/h2-6,9,11,13,17,20H,7-8,10,12H2,1H3.
What are the key properties of N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine?
N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61032911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).