N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine

C18H19NO — CID 79883117

IUPACN-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESc1ccc(C2CC2)c(CNC2COc3ccccc32)c1
InChIInChI=1S/C18H19NO/c1-2-6-15(13-9-10-13)14(5-1)11-19-17-12-20-18-8-4-3-7-16(17)18/h1-8,13,17,19H,9-12H2
InChIKeyYNWHROPKIBIEBY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.79
Rot. Bonds4

About N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine

N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 79883117) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID79883117
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESc1ccc(C2CC2)c(CNC2COc3ccccc32)c1
InChIInChI=1S/C18H19NO/c1-2-6-15(13-9-10-13)14(5-1)11-19-17-12-20-18-8-4-3-7-16(17)18/h1-8,13,17,19H,9-12H2
InChIKeyYNWHROPKIBIEBY-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenol
CID 63378435
N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378996
2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]-6-ethoxyphenol
CID 63378670
N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 80694200
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378811
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 115653449
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 63378858
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79884045
N-[(4-nitrophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378673

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 79883117) is N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine is c1ccc(C2CC2)c(CNC2COc3ccccc32)c1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is YNWHROPKIBIEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-6-15(13-9-10-13)14(5-1)11-19-17-12-20-18-8-4-3-7-16(17)18/h1-8,13,17,19H,9-12H2.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 265.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 79883117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).