(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine

C18H18N2O — CID 105020144

IUPAC(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
SMILESCOc1cc(C(N)c2cccc3ncccc23)ccc1C
InChIInChI=1S/C18H18N2O/c1-12-8-9-13(11-17(12)21-2)18(19)15-5-3-7-16-14(15)6-4-10-20-16/h3-11,18H,19H2,1-2H3
InChIKeyRZPCRXSVKVPCJQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.60
Rot. Bonds3

About (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine

(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine (PubChem CID 105020144) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
PubChem CID105020144
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
SMILESCOc1cc(C(N)c2cccc3ncccc23)ccc1C
InChIInChI=1S/C18H18N2O/c1-12-8-9-13(11-17(12)21-2)18(19)15-5-3-7-16-14(15)6-4-10-20-16/h3-11,18H,19H2,1-2H3
InChIKeyRZPCRXSVKVPCJQ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105164518
(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
CID 105021239
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020152
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 105140227
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
(1R)-1-quinolin-5-ylethanamine
CID 55277010

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine?
The IUPAC name of (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine (CID 105020144) is (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine is COc1cc(C(N)c2cccc3ncccc23)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine?
The InChIKey is RZPCRXSVKVPCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-8-9-13(11-17(12)21-2)18(19)15-5-3-7-16-14(15)6-4-10-20-16/h3-11,18H,19H2,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine?
(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 105020144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).