(3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine

C21H21NO2 — CID 97065372

IUPAC(3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc([C@H](C)N[C@H]2COc3ccccc32)c2ccccc12
InChIInChI=1S/C21H21NO2/c1-14(22-19-13-24-21-10-6-5-9-18(19)21)15-11-12-20(23-2)17-8-4-3-7-16(15)17/h3-12,14,19,22H,13H2,1-2H3/t14-,19-/m0/s1
InChIKeyIZWASBMZWDKRCL-LIRRHRJNSA-N
MW319.40 g/mol
LogP4.63
Rot. Bonds4

About (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine

(3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 97065372) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID97065372
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc([C@H](C)N[C@H]2COc3ccccc32)c2ccccc12
InChIInChI=1S/C21H21NO2/c1-14(22-19-13-24-21-10-6-5-9-18(19)21)15-11-12-20(23-2)17-8-4-3-7-16(15)17/h3-12,14,19,22H,13H2,1-2H3/t14-,19-/m0/s1
InChIKeyIZWASBMZWDKRCL-LIRRHRJNSA-N
XLogP4.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol
CID 107715160
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
CID 82962651
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
[(1R,4S)-4-[[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]cyclopent-2-en-1-yl]methanol
CID 99777354
methyl 2-(2,3-dihydro-1-benzofuran-3-ylamino)butanoate
CID 113292622
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755096

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine (CID 97065372) is (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine is COc1ccc([C@H](C)N[C@H]2COc3ccccc32)c2ccccc12.
What is the InChIKey of (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is IZWASBMZWDKRCL-LIRRHRJNSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14(22-19-13-24-21-10-6-5-9-18(19)21)15-11-12-20(23-2)17-8-4-3-7-16(15)17/h3-12,14,19,22H,13H2,1-2H3/t14-,19-/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine?
(3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 319.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 97065372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).