[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine

C18H24N2O — CID 64729365

IUPAC[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine
SMILESCC1CC(C)CC(Oc2cc(CN)c3ccccc3n2)C1
InChIInChI=1S/C18H24N2O/c1-12-7-13(2)9-15(8-12)21-18-10-14(11-19)16-5-3-4-6-17(16)20-18/h3-6,10,12-13,15H,7-9,11,19H2,1-2H3
InChIKeyRTLVQZIQMFIXPK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.90
Rot. Bonds3

About [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine

[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine (PubChem CID 64729365) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine
PubChem CID64729365
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine
SMILESCC1CC(C)CC(Oc2cc(CN)c3ccccc3n2)C1
InChIInChI=1S/C18H24N2O/c1-12-7-13(2)9-15(8-12)21-18-10-14(11-19)16-5-3-4-6-17(16)20-18/h3-6,10,12-13,15H,7-9,11,19H2,1-2H3
InChIKeyRTLVQZIQMFIXPK-UHFFFAOYSA-N
XLogP3.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-Methoxytacrine
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9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
9-Amino-2-methoxyacridine
CID 18867
2-(4-Methoxyphenyl)quinoline
CID 1481967
4-Methoxy-2-Phenylquinoline
CID 826247
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methoxyphenyl)methyl)amino)-
CID 3025617
1-Acridinol, 1,2,3,4-tetrahydro-9-((3-phenoxypropyl)amino)-
CID 3025629
6-Ethoxy-2-methylquinoline
CID 81118

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine?
The IUPAC name of [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine (CID 64729365) is [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine.
What is the SMILES notation for [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine?
The canonical SMILES for [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine is CC1CC(C)CC(Oc2cc(CN)c3ccccc3n2)C1.
What is the InChIKey of [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine?
The InChIKey is RTLVQZIQMFIXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-7-13(2)9-15(8-12)21-18-10-14(11-19)16-5-3-4-6-17(16)20-18/h3-6,10,12-13,15H,7-9,11,19H2,1-2H3.
What are the key properties of [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine?
[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine is sourced from PubChem (CID 64729365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).