N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

C17H21ClN2O — CID 77080814

IUPACN-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1ccc2cc(Cl)ccc2n1)CC1CCCCO1
InChIInChI=1S/C17H21ClN2O/c1-20(12-16-4-2-3-9-21-16)11-15-7-5-13-10-14(18)6-8-17(13)19-15/h5-8,10,16H,2-4,9,11-12H2,1H3
InChIKeyYJSHHFDFEYHPJX-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.89
Rot. Bonds4

About N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 77080814) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID77080814
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1ccc2cc(Cl)ccc2n1)CC1CCCCO1
InChIInChI=1S/C17H21ClN2O/c1-20(12-16-4-2-3-9-21-16)11-15-7-5-13-10-14(18)6-8-17(13)19-15/h5-8,10,16H,2-4,9,11-12H2,1H3
InChIKeyYJSHHFDFEYHPJX-UHFFFAOYSA-N
XLogP3.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
N-[[6-[[methyl(oxan-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906089
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
CID 103758414
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 155799698
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431015
2-[4-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389415
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
(2S)-3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol
CID 99928103
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine
CID 77093431
5-chloro-N-methyl-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 135114005

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 77080814) is N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is CN(Cc1ccc2cc(Cl)ccc2n1)CC1CCCCO1.
What is the InChIKey of N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is YJSHHFDFEYHPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-20(12-16-4-2-3-9-21-16)11-15-7-5-13-10-14(18)6-8-17(13)19-15/h5-8,10,16H,2-4,9,11-12H2,1H3.
What are the key properties of N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 304.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 77080814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).