[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine

C18H18N2O — CID 107655742

IUPAC[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
SMILESCc1ccc(CN)cc1OCc1ccc2ncccc2c1
InChIInChI=1S/C18H18N2O/c1-13-4-5-14(11-19)10-18(13)21-12-15-6-7-17-16(9-15)3-2-8-20-17/h2-10H,11-12,19H2,1H3
InChIKeyOWAZNXVZPPBECL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.58
Rot. Bonds4

About [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine

[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine (PubChem CID 107655742) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
PubChem CID107655742
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
SMILESCc1ccc(CN)cc1OCc1ccc2ncccc2c1
InChIInChI=1S/C18H18N2O/c1-13-4-5-14(11-19)10-18(13)21-12-15-6-7-17-16(9-15)3-2-8-20-17/h2-10H,11-12,19H2,1H3
InChIKeyOWAZNXVZPPBECL-UHFFFAOYSA-N
XLogP3.58
TPSA48.14 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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655
6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79163844
(4-methyl-3-quinolin-5-yloxyphenyl)methanamine
CID 103045285
[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
2-(quinolin-6-ylmethoxy)benzenecarbothioamide
CID 28776448
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
6-[(2,5-dimethylphenyl)methyl]quinoline
CID 156905634

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine (CID 107655742) is [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine is Cc1ccc(CN)cc1OCc1ccc2ncccc2c1.
What is the InChIKey of [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine?
The InChIKey is OWAZNXVZPPBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-4-5-14(11-19)10-18(13)21-12-15-6-7-17-16(9-15)3-2-8-20-17/h2-10H,11-12,19H2,1H3.
What are the key properties of [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine?
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 107655742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).