1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine

C14H18N2O — CID 79616343

IUPAC1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine
SMILESCNC(c1cncc2ccccc12)C(C)OC
InChIInChI=1S/C14H18N2O/c1-10(17-3)14(15-2)13-9-16-8-11-6-4-5-7-12(11)13/h4-10,14-15H,1-3H3
InChIKeyGQJIEMQTOUPDNM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.53
Rot. Bonds4

About 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine

1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine (PubChem CID 79616343) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine
PubChem CID79616343
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine
SMILESCNC(c1cncc2ccccc12)C(C)OC
InChIInChI=1S/C14H18N2O/c1-10(17-3)14(15-2)13-9-16-8-11-6-4-5-7-12(11)13/h4-10,14-15H,1-3H3
InChIKeyGQJIEMQTOUPDNM-UHFFFAOYSA-N
XLogP2.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-isoquinolin-4-yl-2,2-dimethoxyethyl)propan-1-amine
CID 79492792
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
CID 105247037
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
2-tert-butylsulfanyl-1-isoquinolin-4-yl-N-methylethanamine
CID 65133000
1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
CID 63940368
(2-ethyl-1-isoquinolin-4-ylbutyl)hydrazine
CID 105306338
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 105147366
1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856317

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine (CID 79616343) is 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine is CNC(c1cncc2ccccc12)C(C)OC.
What is the InChIKey of 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine?
The InChIKey is GQJIEMQTOUPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(17-3)14(15-2)13-9-16-8-11-6-4-5-7-12(11)13/h4-10,14-15H,1-3H3.
What are the key properties of 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine?
1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 79616343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).