5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile

C18H18N2O — CID 65336582

IUPAC5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNc2ccc3c(c2)CCC3)cc1C#N
InChIInChI=1S/C18H18N2O/c1-21-18-8-5-13(9-16(18)11-19)12-20-17-7-6-14-3-2-4-15(14)10-17/h5-10,20H,2-4,12H2,1H3
InChIKeyPQXOIQSPRLPCOH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.67
Rot. Bonds4

About 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile

5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile (PubChem CID 65336582) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile
PubChem CID65336582
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNc2ccc3c(c2)CCC3)cc1C#N
InChIInChI=1S/C18H18N2O/c1-21-18-8-5-13(9-16(18)11-19)12-20-17-7-6-14-3-2-4-15(14)10-17/h5-10,20H,2-4,12H2,1H3
InChIKeyPQXOIQSPRLPCOH-UHFFFAOYSA-N
XLogP3.67
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile 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

5-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]-2-methoxybenzonitrile
CID 65341237
2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
CID 63939427
5-[(3-chloro-4-cyanoanilino)methyl]-2-methoxybenzonitrile
CID 65336304
5-[(4-bromoanilino)methyl]-2-methoxybenzonitrile
CID 65336149
5-[(3,5-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336585
2-bromo-4-[(3,4-dimethoxyphenyl)methylamino]benzonitrile
CID 107275958
5-[(3-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65340614
4-[(3,4-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106786892
N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 784383
5-[(3-bromo-4-methoxyanilino)methyl]-2-fluorobenzonitrile
CID 103756742
5-[(3-chloro-4-methoxyanilino)methyl]-2-fluorobenzonitrile
CID 103756629
5-[(2,6-dichloro-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 83078187

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile (CID 65336582) is 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile is COc1ccc(CNc2ccc3c(c2)CCC3)cc1C#N.
What is the InChIKey of 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile?
The InChIKey is PQXOIQSPRLPCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-21-18-8-5-13(9-16(18)11-19)12-20-17-7-6-14-3-2-4-15(14)10-17/h5-10,20H,2-4,12H2,1H3.
What are the key properties of 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile?
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65336582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).