N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine

C13H13ClN2 — CID 65027661

IUPACN-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine
SMILESCc1ccc(Nc2cccc(CCl)c2)nc1
InChIInChI=1S/C13H13ClN2/c1-10-5-6-13(15-9-10)16-12-4-2-3-11(7-12)8-14/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyDPFATQPOKKHVSD-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.87
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine

N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine (PubChem CID 65027661) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine
PubChem CID65027661
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC NameN-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine
SMILESCc1ccc(Nc2cccc(CCl)c2)nc1
InChIInChI=1S/C13H13ClN2/c1-10-5-6-13(15-9-10)16-12-4-2-3-11(7-12)8-14/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyDPFATQPOKKHVSD-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 65027600
2-[methyl-[[3-[(5-methyl-2-pyridinyl)amino]phenyl]methyl]amino]ethanol
CID 169413210
5-methyl-N-phenylpyridin-2-amine
CID 12888062
N-[3-(chloromethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66318087
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
N-[3-(chloromethyl)phenyl]-3-methylpyridin-4-amine
CID 65027549
3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
CID 105368776
N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390962
N-(3-methylphenyl)-5-trimethylsilylpyridin-2-amine
CID 148578003
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
N-[3-(chloromethyl)phenyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66324701
5-bromo-3-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 103584097

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine?
The IUPAC name of N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine (CID 65027661) is N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine is Cc1ccc(Nc2cccc(CCl)c2)nc1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine?
The InChIKey is DPFATQPOKKHVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10-5-6-13(15-9-10)16-12-4-2-3-11(7-12)8-14/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine?
N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine has a molecular weight of 232.71 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 65027661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).