2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine

C16H21ClN2O — CID 81061779

IUPAC2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
SMILESCC(C)OCCN(C)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C16H21ClN2O/c1-12(2)20-9-8-19(3)16-10-13(11-17)18-15-7-5-4-6-14(15)16/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeySVAAAIZQXJXRIU-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.83
Rot. Bonds6

About 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine

2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine (PubChem CID 81061779) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
PubChem CID81061779
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
SMILESCC(C)OCCN(C)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C16H21ClN2O/c1-12(2)20-9-8-19(3)16-10-13(11-17)18-15-7-5-4-6-14(15)16/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeySVAAAIZQXJXRIU-UHFFFAOYSA-N
XLogP3.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine
CID 63375126
[4-[2-methoxyethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376401
2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 112663634
4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
CID 133402476
2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine
CID 63375259
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121
2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
CID 63375545
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
2-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
CID 63375308

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine (CID 81061779) is 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine is CC(C)OCCN(C)c1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine?
The InChIKey is SVAAAIZQXJXRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-12(2)20-9-8-19(3)16-10-13(11-17)18-15-7-5-4-6-14(15)16/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine?
2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine has a molecular weight of 292.81 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine is sourced from PubChem (CID 81061779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).