N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine

C17H15ClN2 — CID 65029424

IUPACN-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc(CCl)cc2)c2ccccc2n1
InChIInChI=1S/C17H15ClN2/c1-12-10-17(15-4-2-3-5-16(15)19-12)20-14-8-6-13(11-18)7-9-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyCIDGDARASQZKCD-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.03
Rot. Bonds3

About N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine

N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine (PubChem CID 65029424) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine
PubChem CID65029424
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC NameN-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc(CCl)cc2)c2ccccc2n1
InChIInChI=1S/C17H15ClN2/c1-12-10-17(15-4-2-3-5-16(15)19-12)20-14-8-6-13(11-18)7-9-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyCIDGDARASQZKCD-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine (CID 65029424) is N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine is Cc1cc(Nc2ccc(CCl)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine?
The InChIKey is CIDGDARASQZKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12-10-17(15-4-2-3-5-16(15)19-12)20-14-8-6-13(11-18)7-9-14/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine?
N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine has a molecular weight of 282.77 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 65029424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).