5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine

C15H17ClN2 — CID 61257426

IUPAC5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCCN(c1cccc(C)c1)c1ccc(CCl)cn1
InChIInChI=1S/C15H17ClN2/c1-3-18(14-6-4-5-12(2)9-14)15-8-7-13(10-16)11-17-15/h4-9,11H,3,10H2,1-2H3
InChIKeyRJUTVRIMHAABDY-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.29
Rot. Bonds4

About 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine

5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine (PubChem CID 61257426) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
PubChem CID61257426
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCCN(c1cccc(C)c1)c1ccc(CCl)cn1
InChIInChI=1S/C15H17ClN2/c1-3-18(14-6-4-5-12(2)9-14)15-8-7-13(10-16)11-17-15/h4-9,11H,3,10H2,1-2H3
InChIKeyRJUTVRIMHAABDY-UHFFFAOYSA-N
XLogP4.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113023014
5-(N-ethyl-3-methylanilino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280618
5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine
CID 80628236
5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 80637193
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(3-methylphenyl)pyrazol-5-amine
CID 61077307
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113022970
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113022991
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001
2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
CID 113387632
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine (CID 61257426) is 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine is CCN(c1cccc(C)c1)c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine?
The InChIKey is RJUTVRIMHAABDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-3-18(14-6-4-5-12(2)9-14)15-8-7-13(10-16)11-17-15/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine?
5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine has a molecular weight of 260.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 61257426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).