5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine

C16H17ClN2O — CID 81298226

IUPAC5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCOc1cc(CNC2Cc3ccc(Cl)cc3C2)ccn1
InChIInChI=1S/C16H17ClN2O/c1-20-16-6-11(4-5-18-16)10-19-15-8-12-2-3-14(17)7-13(12)9-15/h2-7,15,19H,8-10H2,1H3
InChIKeyPKAIILKQHREXII-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.00
Rot. Bonds4

About 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 81298226) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID81298226
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCOc1cc(CNC2Cc3ccc(Cl)cc3C2)ccn1
InChIInChI=1S/C16H17ClN2O/c1-20-16-6-11(4-5-18-16)10-19-15-8-12-2-3-14(17)7-13(12)9-15/h2-7,15,19H,8-10H2,1H3
InChIKeyPKAIILKQHREXII-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300399
3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62991827
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 81343769
5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 81332711
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81343933
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64763111
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81334093

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 81298226) is 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine is COc1cc(CNC2Cc3ccc(Cl)cc3C2)ccn1.
What is the InChIKey of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PKAIILKQHREXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-20-16-6-11(4-5-18-16)10-19-15-8-12-2-3-14(17)7-13(12)9-15/h2-7,15,19H,8-10H2,1H3.
What are the key properties of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 288.78 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81298226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).