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

C17H19ClN2O — CID 81141496

IUPAC2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C17H19ClN2O/c1-11-8-9-19-16(18)15(11)20-13-10-17(2,3)21-14-7-5-4-6-12(13)14/h4-9,13,20H,10H2,1-3H3
InChIKeyOWSVCBDTPCVBOI-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.76
Rot. Bonds2

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

2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine (PubChem CID 81141496) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
PubChem CID81141496
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C17H19ClN2O/c1-11-8-9-19-16(18)15(11)20-13-10-17(2,3)21-14-7-5-4-6-12(13)14/h4-9,13,20H,10H2,1-3H3
InChIKeyOWSVCBDTPCVBOI-UHFFFAOYSA-N
XLogP4.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine (CID 81141496) is 2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine?
The InChIKey is OWSVCBDTPCVBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-8-9-19-16(18)15(11)20-13-10-17(2,3)21-14-7-5-4-6-12(13)14/h4-9,13,20H,10H2,1-3H3.
What are the key properties of 2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine?
2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine has a molecular weight of 302.81 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 81141496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).