[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine

C18H18N2O — CID 107313344

IUPAC[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1COc1ccc2cccnc2c1
InChIInChI=1S/C18H18N2O/c1-13-9-14(11-19)4-5-16(13)12-21-17-7-6-15-3-2-8-20-18(15)10-17/h2-10H,11-12,19H2,1H3
InChIKeyZTIVGCDKHITQDO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.58
Rot. Bonds4

About [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine

[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine (PubChem CID 107313344) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
PubChem CID107313344
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1COc1ccc2cccnc2c1
InChIInChI=1S/C18H18N2O/c1-13-9-14(11-19)4-5-16(13)12-21-17-7-6-15-3-2-8-20-18(15)10-17/h2-10H,11-12,19H2,1H3
InChIKeyZTIVGCDKHITQDO-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 ≤ 500278.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-5-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107315020
[2-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107314996
5-fluoro-2-(quinolin-7-yloxymethyl)aniline
CID 107313267
(2-methyl-4-quinolin-7-yloxyphenyl)methanol
CID 107314118
7-[(2-chlorophenyl)methoxy]quinoline
CID 91807412
(6-quinolin-7-yloxy-3-pyridinyl)methanamine
CID 107313109
3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide
CID 107313737
N-methyl-1-[2-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107314976
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479426
(2-quinolin-7-yloxypyrimidin-5-yl)methanamine
CID 107314265
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
2-(4-methyl-3-quinolin-7-yloxyphenyl)ethanamine
CID 107315468

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine (CID 107313344) is [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine is Cc1cc(CN)ccc1COc1ccc2cccnc2c1.
What is the InChIKey of [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine?
The InChIKey is ZTIVGCDKHITQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-9-14(11-19)4-5-16(13)12-21-17-7-6-15-3-2-8-20-18(15)10-17/h2-10H,11-12,19H2,1H3.
What are the key properties of [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine?
[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine has a molecular weight of 278.35 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 [3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 107313344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).