[3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol

C18H18N2O — CID 79233520

IUPAC[3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol
SMILESCc1cc(CNc2cccc(CO)c2)c2ccccc2n1
InChIInChI=1S/C18H18N2O/c1-13-9-15(17-7-2-3-8-18(17)20-13)11-19-16-6-4-5-14(10-16)12-21/h2-10,19,21H,11-12H2,1H3
InChIKeyKYEDWNBPCMGADH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.65
Rot. Bonds4

About [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol

[3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol (PubChem CID 79233520) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol
PubChem CID79233520
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name[3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol
SMILESCc1cc(CNc2cccc(CO)c2)c2ccccc2n1
InChIInChI=1S/C18H18N2O/c1-13-9-15(17-7-2-3-8-18(17)20-13)11-19-16-6-4-5-14(10-16)12-21/h2-10,19,21H,11-12H2,1H3
InChIKeyKYEDWNBPCMGADH-UHFFFAOYSA-N
XLogP3.65
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol
CID 107699881
3,4-dichloro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233028
N-[(2-methylquinolin-4-yl)methyl]pyridin-3-amine
CID 79238376
4-bromo-3-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233016
N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine
CID 59644278
[3-(2-methylquinolin-4-yl)oxyphenyl]methanol
CID 79869243
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652
3-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61319500
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol (CID 79233520) is [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol is Cc1cc(CNc2cccc(CO)c2)c2ccccc2n1.
What is the InChIKey of [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol?
The InChIKey is KYEDWNBPCMGADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-9-15(17-7-2-3-8-18(17)20-13)11-19-16-6-4-5-14(10-16)12-21/h2-10,19,21H,11-12H2,1H3.
What are the key properties of [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol?
[3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol has a molecular weight of 278.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 79233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).