5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine

C15H17ClN2 — CID 66234324

IUPAC5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
SMILESCc1cccc(C(C)C)c1Nc1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN2/c1-10(2)13-6-4-5-11(3)15(13)18-14-8-7-12(16)9-17-14/h4-10H,1-3H3,(H,17,18)
InChIKeyMJJJBRFUWSFIJS-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.91
Rot. Bonds3

About 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine

5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine (PubChem CID 66234324) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
PubChem CID66234324
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
SMILESCc1cccc(C(C)C)c1Nc1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN2/c1-10(2)13-6-4-5-11(3)15(13)18-14-8-7-12(16)9-17-14/h4-10H,1-3H3,(H,17,18)
InChIKeyMJJJBRFUWSFIJS-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine (CID 66234324) is 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine is Cc1cccc(C(C)C)c1Nc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine?
The InChIKey is MJJJBRFUWSFIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10(2)13-6-4-5-11(3)15(13)18-14-8-7-12(16)9-17-14/h4-10H,1-3H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine?
5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine has a molecular weight of 260.77 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 66234324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).