N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C18H19NO — CID 79969298

IUPACN-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc(C2CC2)ccc1CNc1ccc2c(c1)CCO2
InChIInChI=1S/C18H19NO/c1-3-14(15-5-6-15)4-2-13(1)12-19-17-7-8-18-16(11-17)9-10-20-18/h1-4,7-8,11,15,19H,5-6,9-10,12H2
InChIKeyMGJMVZNLISZJAM-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.11
Rot. Bonds4

About N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 79969298) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID79969298
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc(C2CC2)ccc1CNc1ccc2c(c1)CCO2
InChIInChI=1S/C18H19NO/c1-3-14(15-5-6-15)4-2-13(1)12-19-17-7-8-18-16(11-17)9-10-20-18/h1-4,7-8,11,15,19H,5-6,9-10,12H2
InChIKeyMGJMVZNLISZJAM-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732620
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788544
5-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]-2-fluorobenzonitrile
CID 103756683

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 79969298) is N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is c1cc(C2CC2)ccc1CNc1ccc2c(c1)CCO2.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is MGJMVZNLISZJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-14(15-5-6-15)4-2-13(1)12-19-17-7-8-18-16(11-17)9-10-20-18/h1-4,7-8,11,15,19H,5-6,9-10,12H2.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 265.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 79969298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).