8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine

C18H18N2O — CID 43376447

IUPAC8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
SMILESCc1ccc(C)c(OCc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C18H18N2O/c1-12-5-6-13(2)17(10-12)21-11-14-7-8-16(19)15-4-3-9-20-18(14)15/h3-10H,11,19H2,1-2H3
InChIKeyPSTWSGFXMJQCMF-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.01
Rot. Bonds3

About 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine

8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine (PubChem CID 43376447) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
PubChem CID43376447
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
SMILESCc1ccc(C)c(OCc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C18H18N2O/c1-12-5-6-13(2)17(10-12)21-11-14-7-8-16(19)15-4-3-9-20-18(14)15/h3-10H,11,19H2,1-2H3
InChIKeyPSTWSGFXMJQCMF-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
CID 105369730
8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine
CID 83165520
8-[(4-iodophenoxy)methyl]quinolin-5-amine
CID 43376888
8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
CID 64855173
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine
CID 61244156

Frequently Asked Questions

What is the IUPAC name of 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine?
The IUPAC name of 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine (CID 43376447) is 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine.
What is the SMILES notation for 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine?
The canonical SMILES for 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine is Cc1ccc(C)c(OCc2ccc(N)c3cccnc23)c1.
What is the InChIKey of 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine?
The InChIKey is PSTWSGFXMJQCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-5-6-13(2)17(10-12)21-11-14-7-8-16(19)15-4-3-9-20-18(14)15/h3-10H,11,19H2,1-2H3.
What are the key properties of 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine?
8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine has a molecular weight of 278.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine is sourced from PubChem (CID 43376447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).