[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine

C18H26N2O — CID 106777323

IUPAC[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine
SMILESCCCCC(CC)COc1ncc(CN)c2ccccc12
InChIInChI=1S/C18H26N2O/c1-3-5-8-14(4-2)13-21-18-17-10-7-6-9-16(17)15(11-19)12-20-18/h6-7,9-10,12,14H,3-5,8,11,13,19H2,1-2H3
InChIKeyYOGJNQXNCVJLNO-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.29
Rot. Bonds8

About [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine

[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine (PubChem CID 106777323) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine
PubChem CID106777323
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine
SMILESCCCCC(CC)COc1ncc(CN)c2ccccc12
InChIInChI=1S/C18H26N2O/c1-3-5-8-14(4-2)13-21-18-17-10-7-6-9-16(17)15(11-19)12-20-18/h6-7,9-10,12,14H,3-5,8,11,13,19H2,1-2H3
InChIKeyYOGJNQXNCVJLNO-UHFFFAOYSA-N
XLogP4.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777326
4-(2-ethylhexoxy)quinolin-3-amine
CID 103963670
[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol
CID 63445899
[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
3-bromo-2-(2-ethylhexoxy)-5-methylpyridine
CID 105368253
2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine
CID 112614853
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291293
N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
CID 62290565
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine?
The IUPAC name of [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine (CID 106777323) is [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine is CCCCC(CC)COc1ncc(CN)c2ccccc12.
What is the InChIKey of [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine?
The InChIKey is YOGJNQXNCVJLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-5-8-14(4-2)13-21-18-17-10-7-6-9-16(17)15(11-19)12-20-18/h6-7,9-10,12,14H,3-5,8,11,13,19H2,1-2H3.
What are the key properties of [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine?
[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).