2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine

C15H19ClN2O — CID 55184038

IUPAC2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
SMILESCOCC(Cl)CN(C)Cc1cccc2cccnc12
InChIInChI=1S/C15H19ClN2O/c1-18(10-14(16)11-19-2)9-13-6-3-5-12-7-4-8-17-15(12)13/h3-8,14H,9-11H2,1-2H3
InChIKeyOYPFMWJCMNXLMC-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.92
Rot. Bonds6

About 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine

2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine (PubChem CID 55184038) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
PubChem CID55184038
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
SMILESCOCC(Cl)CN(C)Cc1cccc2cccnc12
InChIInChI=1S/C15H19ClN2O/c1-18(10-14(16)11-19-2)9-13-6-3-5-12-7-4-8-17-15(12)13/h3-8,14H,9-11H2,1-2H3
InChIKeyOYPFMWJCMNXLMC-UHFFFAOYSA-N
XLogP2.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.92
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

1-methoxy-3-[methyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 62016123
2-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 104794864
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 63985535
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 112809377
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62470207
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 63390234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine (CID 55184038) is 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine is COCC(Cl)CN(C)Cc1cccc2cccnc12.
What is the InChIKey of 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine?
The InChIKey is OYPFMWJCMNXLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18(10-14(16)11-19-2)9-13-6-3-5-12-7-4-8-17-15(12)13/h3-8,14H,9-11H2,1-2H3.
What are the key properties of 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine?
2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine has a molecular weight of 278.78 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine is sourced from PubChem (CID 55184038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).