2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine

C18H20N2O — CID 114524219

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(CC1Cc3ccccc3O1)CC2
InChIInChI=1S/C18H20N2O/c19-17-6-3-5-13-8-9-20(12-16(13)17)11-15-10-14-4-1-2-7-18(14)21-15/h1-7,15H,8-12,19H2
InChIKeyZMEIPMPCKFIJMF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.63
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524219) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524219
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(CC1Cc3ccccc3O1)CC2
InChIInChI=1S/C18H20N2O/c19-17-6-3-5-13-8-9-20(12-16(13)17)11-15-10-14-4-1-2-7-18(14)21-15/h1-7,15H,8-12,19H2
InChIKeyZMEIPMPCKFIJMF-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
CID 66365727
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524212
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 66347219
2-[(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522016
2-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522622
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 80667627

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524219) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(CC1Cc3ccccc3O1)CC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is ZMEIPMPCKFIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-17-6-3-5-13-8-9-20(12-16(13)17)11-15-10-14-4-1-2-7-18(14)21-15/h1-7,15H,8-12,19H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 280.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).