3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine

C21H23NO — CID 134158474

IUPAC3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine
SMILESCCC(N)(CC)c1cc2ccccc2c2ccc3c(c12)COC3
InChIInChI=1S/C21H23NO/c1-3-21(22,4-2)19-11-14-7-5-6-8-16(14)17-10-9-15-12-23-13-18(15)20(17)19/h5-11H,3-4,12-13,22H2,1-2H3
InChIKeyCJCAWLVGHKHWIM-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.00
Rot. Bonds3

About 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine

3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine (PubChem CID 134158474) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine
PubChem CID134158474
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine
SMILESCCC(N)(CC)c1cc2ccccc2c2ccc3c(c12)COC3
InChIInChI=1S/C21H23NO/c1-3-21(22,4-2)19-11-14-7-5-6-8-16(14)17-10-9-15-12-23-13-18(15)20(17)19/h5-11H,3-4,12-13,22H2,1-2H3
InChIKeyCJCAWLVGHKHWIM-UHFFFAOYSA-N
XLogP5.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-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

1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-2-yl-ethylamine
CID 19003143
(2S)-1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine
CID 44346550
1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-1-yl-ethylamine
CID 19003165
alpha-(Trifluoromethyl)-alpha-methoxyphenanthrene-9-methanamine
CID 58611151
4-Amino-4-(1,3-dihydro-2-benzofuran-5-yl)-4-(4-fluorophenyl)butanenitrile
CID 68912962
2-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine
CID 141571768
4-Benzyloxy-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline
CID 129785997
4-Dimethylaminomethyl-8-methyl-1,3-dihydronaphtho[1,2-c]furan
CID 129872345
5-(1-Azido-2-phenylethyl)-6-(2-phenylethynyl)-1,3-dihydro-2-benzofuran
CID 138969783
4-(4-Methylphenyl)-1,3-dihydrobenzo[f][2]benzofuran
CID 164666946
1,3-Dihydro-2-benzofuran-5-yl-(2-fluoro-5-methylphenyl)methanamine
CID 55143089
1,3-Dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine
CID 55144051

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine?
The IUPAC name of 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine (CID 134158474) is 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine.
What is the SMILES notation for 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine?
The canonical SMILES for 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine is CCC(N)(CC)c1cc2ccccc2c2ccc3c(c12)COC3.
What is the InChIKey of 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine?
The InChIKey is CJCAWLVGHKHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-21(22,4-2)19-11-14-7-5-6-8-16(14)17-10-9-15-12-23-13-18(15)20(17)19/h5-11H,3-4,12-13,22H2,1-2H3.
What are the key properties of 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine?
3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine has a molecular weight of 305.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydronaphtho[2,1-e][2]benzofuran-4-yl)pentan-3-amine is sourced from PubChem (CID 134158474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).