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

C16H17ClN2 — CID 82820871

IUPAC2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine
SMILESCC1(C)Cc2ccccc2C1Nc1cccnc1Cl
InChIInChI=1S/C16H17ClN2/c1-16(2)10-11-6-3-4-7-12(11)14(16)19-13-8-5-9-18-15(13)17/h3-9,14,19H,10H2,1-2H3
InChIKeyFTMPYXKENYYPTE-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.47
Rot. Bonds2

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

2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine (PubChem CID 82820871) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine
PubChem CID82820871
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine
SMILESCC1(C)Cc2ccccc2C1Nc1cccnc1Cl
InChIInChI=1S/C16H17ClN2/c1-16(2)10-11-6-3-4-7-12(11)14(16)19-13-8-5-9-18-15(13)17/h3-9,14,19H,10H2,1-2H3
InChIKeyFTMPYXKENYYPTE-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.47
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)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine (CID 82820871) is 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine is CC1(C)Cc2ccccc2C1Nc1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine?
The InChIKey is FTMPYXKENYYPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-16(2)10-11-6-3-4-7-12(11)14(16)19-13-8-5-9-18-15(13)17/h3-9,14,19H,10H2,1-2H3.
What are the key properties of 2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine?
2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine has a molecular weight of 272.78 g/mol, XLogP of 4.47, 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)pyridin-3-amine is sourced from PubChem (CID 82820871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).