2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine

C17H19ClN2 — CID 82814911

IUPAC2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1c2ccccc2CC1(C)C
InChIInChI=1S/C17H19ClN2/c1-11-8-9-19-16(18)14(11)20-15-13-7-5-4-6-12(13)10-17(15,2)3/h4-9,15,20H,10H2,1-3H3
InChIKeyVZDCKVNAROECGZ-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.78
Rot. Bonds2

About 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine

2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine (PubChem CID 82814911) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine
PubChem CID82814911
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1c2ccccc2CC1(C)C
InChIInChI=1S/C17H19ClN2/c1-11-8-9-19-16(18)14(11)20-15-13-7-5-4-6-12(13)10-17(15,2)3/h4-9,15,20H,10H2,1-3H3
InChIKeyVZDCKVNAROECGZ-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine (CID 82814911) is 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NC1c2ccccc2CC1(C)C.
What is the InChIKey of 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine?
The InChIKey is VZDCKVNAROECGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-11-8-9-19-16(18)14(11)20-15-13-7-5-4-6-12(13)10-17(15,2)3/h4-9,15,20H,10H2,1-3H3.
What are the key properties of 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine?
2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine has a molecular weight of 286.81 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 82814911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).