N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine

C18H24N2O — CID 106777271

IUPACN-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
SMILESCNCc1cnc(OC2CCCCC2C)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-13-7-3-6-10-17(13)21-18-16-9-5-4-8-15(16)14(11-19-2)12-20-18/h4-5,8-9,12-13,17,19H,3,6-7,10-11H2,1-2H3
InChIKeyXNJRDQAHOFBISR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.91
Rot. Bonds4

About N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine

N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine (PubChem CID 106777271) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
PubChem CID106777271
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
SMILESCNCc1cnc(OC2CCCCC2C)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-13-7-3-6-10-17(13)21-18-16-9-5-4-8-15(16)14(11-19-2)12-20-18/h4-5,8-9,12-13,17,19H,3,6-7,10-11H2,1-2H3
InChIKeyXNJRDQAHOFBISR-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sarizotan
CID 6918388
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
3-Methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]pyridine
CID 25263340
6-Phenyl-7-(piperidin-3-ylmethoxy)isoquinoline
CID 42618154
3-(Piperidin-4-yl)-2-(o-tolyloxy)pyridine
CID 46230706
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319
7-Piperidin-4-yloxyisoquinoline
CID 42618152
[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10020030
[3-(5-Methoxy-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 11782656
4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline
CID 25034428
[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 44358574

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine (CID 106777271) is N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine is CNCc1cnc(OC2CCCCC2C)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
The InChIKey is XNJRDQAHOFBISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-7-3-6-10-17(13)21-18-16-9-5-4-8-15(16)14(11-19-2)12-20-18/h4-5,8-9,12-13,17,19H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine?
N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).