(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine

C18H18N2O — CID 105021239

IUPAC(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
SMILESCOc1cc(C(N)c2cccc3cccnc23)ccc1C
InChIInChI=1S/C18H18N2O/c1-12-8-9-14(11-16(12)21-2)17(19)15-7-3-5-13-6-4-10-20-18(13)15/h3-11,17H,19H2,1-2H3
InChIKeyUXHDDEYZCXSMQI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.60
Rot. Bonds3

About (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine

(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine (PubChem CID 105021239) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
PubChem CID105021239
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
SMILESCOc1cc(C(N)c2cccc3cccnc23)ccc1C
InChIInChI=1S/C18H18N2O/c1-12-8-9-14(11-16(12)21-2)17(19)15-7-3-5-13-6-4-10-20-18(13)15/h3-11,17H,19H2,1-2H3
InChIKeyUXHDDEYZCXSMQI-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

(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
CID 105020144
quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
(3,4-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 105140227
(3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine
CID 103215987
[(3,4-dimethylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105300235
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(6-methoxypyridazin-3-yl)-quinolin-8-ylmethanamine
CID 103373778
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031995
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
CID 113230034
(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105164518

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine?
The IUPAC name of (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine (CID 105021239) is (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine?
The canonical SMILES for (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine is COc1cc(C(N)c2cccc3cccnc23)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine?
The InChIKey is UXHDDEYZCXSMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-8-9-14(11-16(12)21-2)17(19)15-7-3-5-13-6-4-10-20-18(13)15/h3-11,17H,19H2,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine?
(3-methoxy-4-methylphenyl)-quinolin-8-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-8-ylmethanamine is sourced from PubChem (CID 105021239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).