1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine

C19H21NO — CID 43804387

IUPAC1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(C(NCc2ccc3c(c2)CCO3)C2CC2)cc1
InChIInChI=1S/C19H21NO/c1-2-4-15(5-3-1)19(16-7-8-16)20-13-14-6-9-18-17(12-14)10-11-21-18/h1-6,9,12,16,19-20H,7-8,10-11,13H2
InChIKeyXFWPMRXJRMJSMJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.86
Rot. Bonds5

About 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine

1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine (PubChem CID 43804387) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine
PubChem CID43804387
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(C(NCc2ccc3c(c2)CCO3)C2CC2)cc1
InChIInChI=1S/C19H21NO/c1-2-4-15(5-3-1)19(16-7-8-16)20-13-14-6-9-18-17(12-14)10-11-21-18/h1-6,9,12,16,19-20H,7-8,10-11,13H2
InChIKeyXFWPMRXJRMJSMJ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771
N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 61313159
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
CID 104922890
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128969499
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine
CID 82709471
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 104545252
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 60945047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine (CID 43804387) is 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine is c1ccc(C(NCc2ccc3c(c2)CCO3)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine?
The InChIKey is XFWPMRXJRMJSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-4-15(5-3-1)19(16-7-8-16)20-13-14-6-9-18-17(12-14)10-11-21-18/h1-6,9,12,16,19-20H,7-8,10-11,13H2.
What are the key properties of 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine?
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 43804387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).