3-[(3-methylphenoxy)methyl]quinolin-2-amine

C17H16N2O — CID 62193527

IUPAC3-[(3-methylphenoxy)methyl]quinolin-2-amine
SMILESCc1cccc(OCc2cc3ccccc3nc2N)c1
InChIInChI=1S/C17H16N2O/c1-12-5-4-7-15(9-12)20-11-14-10-13-6-2-3-8-16(13)19-17(14)18/h2-10H,11H2,1H3,(H2,18,19)
InChIKeyGNQQDAXXMKBMFU-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.70
Rot. Bonds3

About 3-[(3-methylphenoxy)methyl]quinolin-2-amine

3-[(3-methylphenoxy)methyl]quinolin-2-amine (PubChem CID 62193527) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(3-methylphenoxy)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(3-methylphenoxy)methyl]quinolin-2-amine
PubChem CID62193527
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-[(3-methylphenoxy)methyl]quinolin-2-amine
SMILESCc1cccc(OCc2cc3ccccc3nc2N)c1
InChIInChI=1S/C17H16N2O/c1-12-5-4-7-15(9-12)20-11-14-10-13-6-2-3-8-16(13)19-17(14)18/h2-10H,11H2,1H3,(H2,18,19)
InChIKeyGNQQDAXXMKBMFU-UHFFFAOYSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 62188885
3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine
CID 81265271
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015
3-(2,2-difluoroethoxymethyl)quinolin-2-amine
CID 82007215
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
3-methoxy-5-[(3-methylphenoxy)methyl]isoquinoline
CID 91123848
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenoxy)methyl]quinolin-2-amine?
The IUPAC name of 3-[(3-methylphenoxy)methyl]quinolin-2-amine (CID 62193527) is 3-[(3-methylphenoxy)methyl]quinolin-2-amine.
What is the SMILES notation for 3-[(3-methylphenoxy)methyl]quinolin-2-amine?
The canonical SMILES for 3-[(3-methylphenoxy)methyl]quinolin-2-amine is Cc1cccc(OCc2cc3ccccc3nc2N)c1.
What is the InChIKey of 3-[(3-methylphenoxy)methyl]quinolin-2-amine?
The InChIKey is GNQQDAXXMKBMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-5-4-7-15(9-12)20-11-14-10-13-6-2-3-8-16(13)19-17(14)18/h2-10H,11H2,1H3,(H2,18,19).
What are the key properties of 3-[(3-methylphenoxy)methyl]quinolin-2-amine?
3-[(3-methylphenoxy)methyl]quinolin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenoxy)methyl]quinolin-2-amine is sourced from PubChem (CID 62193527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).