N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine

C24H28N2O — CID 59268586

IUPACN-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine
SMILESCc1cc(C)cc(CNC2CCC(Oc3ccc4cnccc4c3)CC2)c1
InChIInChI=1S/C24H28N2O/c1-17-11-18(2)13-19(12-17)15-26-22-4-7-23(8-5-22)27-24-6-3-21-16-25-10-9-20(21)14-24/h3,6,9-14,16,22-23,26H,4-5,7-8,15H2,1-2H3
InChIKeyGRYDEXPCUJGKBO-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.33
Rot. Bonds5

About N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine

N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine (PubChem CID 59268586) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine
PubChem CID59268586
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine
SMILESCc1cc(C)cc(CNC2CCC(Oc3ccc4cnccc4c3)CC2)c1
InChIInChI=1S/C24H28N2O/c1-17-11-18(2)13-19(12-17)15-26-22-4-7-23(8-5-22)27-24-6-3-21-16-25-10-9-20(21)14-24/h3,6,9-14,16,22-23,26H,4-5,7-8,15H2,1-2H3
InChIKeyGRYDEXPCUJGKBO-UHFFFAOYSA-N
XLogP5.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(7-chloroisoquinolin-6-yl)oxycyclohexan-1-amine
CID 25055880
ethane;ethylbenzene;6-(4-methylcyclohexyl)oxyisoquinoline
CID 143705548
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
4-(7-chloroisoquinolin-6-yl)oxy-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 59268591
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine
CID 107037982
4-(4-isoquinolin-6-yloxycyclohexyl)morpholine
CID 59268507
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine
CID 107166477
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine (CID 59268586) is N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine is Cc1cc(C)cc(CNC2CCC(Oc3ccc4cnccc4c3)CC2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine?
The InChIKey is GRYDEXPCUJGKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-17-11-18(2)13-19(12-17)15-26-22-4-7-23(8-5-22)27-24-6-3-21-16-25-10-9-20(21)14-24/h3,6,9-14,16,22-23,26H,4-5,7-8,15H2,1-2H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine?
N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine has a molecular weight of 360.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine is sourced from PubChem (CID 59268586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).