2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine

C16H23ClN2 — CID 115400860

IUPAC2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C16H23ClN2/c1-10-6-8-18-13(17)12(10)19-14-15(2,3)11-5-7-16(14,4)9-11/h6,8,11,14,19H,5,7,9H2,1-4H3/t11-,14?,16+/m0/s1
InChIKeyYITUMKYRNYNHIQ-ZIHDAQAOSA-N
MW278.83 g/mol
LogP4.67
Rot. Bonds2

About 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine

2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine (PubChem CID 115400860) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine
PubChem CID115400860
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C16H23ClN2/c1-10-6-8-18-13(17)12(10)19-14-15(2,3)11-5-7-16(14,4)9-11/h6,8,11,14,19H,5,7,9H2,1-4H3/t11-,14?,16+/m0/s1
InChIKeyYITUMKYRNYNHIQ-ZIHDAQAOSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-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 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine (CID 115400860) is 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine is Cc1ccnc(Cl)c1NC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine?
The InChIKey is YITUMKYRNYNHIQ-ZIHDAQAOSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-10-6-8-18-13(17)12(10)19-14-15(2,3)11-5-7-16(14,4)9-11/h6,8,11,14,19H,5,7,9H2,1-4H3/t11-,14?,16+/m0/s1.
What are the key properties of 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine?
2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine has a molecular weight of 278.83 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine is sourced from PubChem (CID 115400860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).