N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C18H19NO — CID 61313159

IUPACN-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESc1ccc(C(Nc2ccc3c(c2)CCO3)C2CC2)cc1
InChIInChI=1S/C18H19NO/c1-2-4-13(5-3-1)18(14-6-7-14)19-16-8-9-17-15(12-16)10-11-20-17/h1-5,8-9,12,14,18-19H,6-7,10-11H2
InChIKeyVRAFTFBBZZKXKT-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.18
Rot. Bonds4

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

N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 61313159) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID61313159
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESc1ccc(C(Nc2ccc3c(c2)CCO3)C2CC2)cc1
InChIInChI=1S/C18H19NO/c1-2-4-13(5-3-1)18(14-6-7-14)19-16-8-9-17-15(12-16)10-11-20-17/h1-5,8-9,12,14,18-19H,6-7,10-11H2
InChIKeyVRAFTFBBZZKXKT-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
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

1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine
CID 43804387
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide
CID 35626827
N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
CID 63434078
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
[2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232601
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
N-(dithiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43788589
3-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61313756
4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine
CID 116952305
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62879061
N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43724272

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 61313159) is N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is c1ccc(C(Nc2ccc3c(c2)CCO3)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is VRAFTFBBZZKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-4-13(5-3-1)18(14-6-7-14)19-16-8-9-17-15(12-16)10-11-20-17/h1-5,8-9,12,14,18-19H,6-7,10-11H2.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 265.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 61313159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).