[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine

C18H18N2O — CID 63377590

IUPAC[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine
SMILESCc1ccc(Oc2cc(CN)nc3ccccc23)cc1C
InChIInChI=1S/C18H18N2O/c1-12-7-8-15(9-13(12)2)21-18-10-14(11-19)20-17-6-4-3-5-16(17)18/h3-10H,11,19H2,1-2H3
InChIKeyDJIJQUKMXZAQKK-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.10
Rot. Bonds3

About [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine

[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine (PubChem CID 63377590) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine
PubChem CID63377590
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine
SMILESCc1ccc(Oc2cc(CN)nc3ccccc23)cc1C
InChIInChI=1S/C18H18N2O/c1-12-7-8-15(9-13(12)2)21-18-10-14(11-19)20-17-6-4-3-5-16(17)18/h3-10H,11,19H2,1-2H3
InChIKeyDJIJQUKMXZAQKK-UHFFFAOYSA-N
XLogP4.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377726
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413
[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 82718575
[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 65201195
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
[4-(3-methylphenoxy)quinolin-2-yl]methanol
CID 63376019
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline
CID 23962836
[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377411
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine
CID 63377115
[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine
CID 80909907

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine?
The IUPAC name of [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine (CID 63377590) is [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine is Cc1ccc(Oc2cc(CN)nc3ccccc23)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine?
The InChIKey is DJIJQUKMXZAQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-7-8-15(9-13(12)2)21-18-10-14(11-19)20-17-6-4-3-5-16(17)18/h3-10H,11,19H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine?
[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 63377590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).