2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine

C14H15ClN2 — CID 166451926

IUPAC2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine
SMILESCc1cc(C)c(Nc2cccnc2Cl)c(C)c1
InChIInChI=1S/C14H15ClN2/c1-9-7-10(2)13(11(3)8-9)17-12-5-4-6-16-14(12)15/h4-8,17H,1-3H3
InChIKeyOVLDHUTZQXIZNC-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.40
Rot. Bonds2

About 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine

2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine (PubChem CID 166451926) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine
PubChem CID166451926
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine
SMILESCc1cc(C)c(Nc2cccnc2Cl)c(C)c1
InChIInChI=1S/C14H15ClN2/c1-9-7-10(2)13(11(3)8-9)17-12-5-4-6-16-14(12)15/h4-8,17H,1-3H3
InChIKeyOVLDHUTZQXIZNC-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.40
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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Related Compounds

1-(2-chloro-3-pyridinyl)-3-(2,6-dimethylphenyl)thiourea
CID 23857093
N-[4-tert-butyl-2,6-bis(2,5-ditert-butylphenyl)phenyl]-2-chloropyridin-3-amine
CID 176782674
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43689842
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
N-(2-chloro-3-pyridinyl)pyridazin-3-amine
CID 102275010
2-N,3-N,6-N,7-N,10-N,11-N-hexakis(2,4,6-trimethylphenyl)triphenylene-2,3,6,7,10,11-hexamine
CID 122204956
N-(2,4,6-trimethylphenyl)-1H-imidazo[4,5-b]pyridin-2-amine
CID 91455813
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
3-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-sulfonamide
CID 103303080
2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 26969811
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine (CID 166451926) is 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine is Cc1cc(C)c(Nc2cccnc2Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine?
The InChIKey is OVLDHUTZQXIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-7-10(2)13(11(3)8-9)17-12-5-4-6-16-14(12)15/h4-8,17H,1-3H3.
What are the key properties of 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine?
2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine has a molecular weight of 246.74 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine is sourced from PubChem (CID 166451926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).