1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine

C18H18N2O — CID 105095031

IUPAC1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
SMILESCNC(c1ccc(OC)cc1)c1ccnc2ccccc12
InChIInChI=1S/C18H18N2O/c1-19-18(13-7-9-14(21-2)10-8-13)16-11-12-20-17-6-4-3-5-15(16)17/h3-12,18-19H,1-2H3
InChIKeyXAYIUZJFAZPESP-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine

1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine (PubChem CID 105095031) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
PubChem CID105095031
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
SMILESCNC(c1ccc(OC)cc1)c1ccnc2ccccc12
InChIInChI=1S/C18H18N2O/c1-19-18(13-7-9-14(21-2)10-8-13)16-11-12-20-17-6-4-3-5-15(16)17/h3-12,18-19H,1-2H3
InChIKeyXAYIUZJFAZPESP-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]quinoline
CID 101225563
4-[1-(4-methoxyphenoxy)propan-2-yl]quinoline
CID 100926215
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
2-methoxy-N-methyl-1-quinolin-4-ylethanamine
CID 105165529
1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105396938
[(4-fluorophenyl)-quinolin-4-ylmethyl]hydrazine
CID 105284020
1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine (CID 105095031) is 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine is CNC(c1ccc(OC)cc1)c1ccnc2ccccc12.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The InChIKey is XAYIUZJFAZPESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-19-18(13-7-9-14(21-2)10-8-13)16-11-12-20-17-6-4-3-5-15(16)17/h3-12,18-19H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine?
1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine is sourced from PubChem (CID 105095031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).