6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C16H17ClN2O — CID 82461686

IUPAC6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc2c(cc1Cl)C(NCc1ccccn1)CCO2
InChIInChI=1S/C16H17ClN2O/c1-11-8-16-13(9-14(11)17)15(5-7-20-16)19-10-12-4-2-3-6-18-12/h2-4,6,8-9,15,19H,5,7,10H2,1H3
InChIKeyPAOMYLXRSAIUQJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.66
Rot. Bonds3

About 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461686) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461686
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc2c(cc1Cl)C(NCc1ccccn1)CCO2
InChIInChI=1S/C16H17ClN2O/c1-11-8-16-13(9-14(11)17)15(5-7-20-16)19-10-12-4-2-3-6-18-12/h2-4,6,8-9,15,19H,5,7,10H2,1H3
InChIKeyPAOMYLXRSAIUQJ-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461686) is 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc2c(cc1Cl)C(NCc1ccccn1)CCO2.
What is the InChIKey of 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PAOMYLXRSAIUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-8-16-13(9-14(11)17)15(5-7-20-16)19-10-12-4-2-3-6-18-12/h2-4,6,8-9,15,19H,5,7,10H2,1H3.
What are the key properties of 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.78 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).