N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine

C18H17ClN2 — CID 65028385

IUPACN-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCc1cccc(CCl)c1
InChIInChI=1S/C18H17ClN2/c1-13-9-16-7-2-3-8-17(16)21-18(13)20-12-15-6-4-5-14(10-15)11-19/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyXIAHOVKFRHFLQT-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.89
Rot. Bonds4

About N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine

N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine (PubChem CID 65028385) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine
PubChem CID65028385
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCc1cccc(CCl)c1
InChIInChI=1S/C18H17ClN2/c1-13-9-16-7-2-3-8-17(16)21-18(13)20-12-15-6-4-5-14(10-15)11-19/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyXIAHOVKFRHFLQT-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.89
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

N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 65028743
3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine
CID 97235078
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine
CID 63228854
3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine
CID 63229105
N-[[3-(chloromethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 65028278
N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
CID 106154673
N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
CID 63229190
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 55175937
N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028280

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine (CID 65028385) is N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NCc1cccc(CCl)c1.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine?
The InChIKey is XIAHOVKFRHFLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-13-9-16-7-2-3-8-17(16)21-18(13)20-12-15-6-4-5-14(10-15)11-19/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine?
N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine has a molecular weight of 296.80 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 65028385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).