[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol

C18H22N2O — CID 62096158

IUPAC[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
SMILESCN1CCCc2cc(CNc3cccc(CO)c3)ccc21
InChIInChI=1S/C18H22N2O/c1-20-9-3-5-16-10-14(7-8-18(16)20)12-19-17-6-2-4-15(11-17)13-21/h2,4,6-8,10-11,19,21H,3,5,9,12-13H2,1H3
InChIKeyRDNXBXNZMBNRES-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.17
Rot. Bonds4

About [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol

[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol (PubChem CID 62096158) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
PubChem CID62096158
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
SMILESCN1CCCc2cc(CNc3cccc(CO)c3)ccc21
InChIInChI=1S/C18H22N2O/c1-20-9-3-5-16-10-14(7-8-18(16)20)12-19-17-6-2-4-15(11-17)13-21/h2,4,6-8,10-11,19,21H,3,5,9,12-13H2,1H3
InChIKeyRDNXBXNZMBNRES-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol with MolForge

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Related Compounds

3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile
CID 62097365
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
3-ethynyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62072233
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
CID 62097018
4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63444151
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538771
4,4-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentan-1-ol
CID 106349009
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol (CID 62096158) is [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol is CN1CCCc2cc(CNc3cccc(CO)c3)ccc21.
What is the InChIKey of [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol?
The InChIKey is RDNXBXNZMBNRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20-9-3-5-16-10-14(7-8-18(16)20)12-19-17-6-2-4-15(11-17)13-21/h2,4,6-8,10-11,19,21H,3,5,9,12-13H2,1H3.
What are the key properties of [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol?
[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol has a molecular weight of 282.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 62096158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).