1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine

C14H22N2O — CID 55080824

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O/c1-17-9-7-14(15)11-16-8-6-12-4-2-3-5-13(12)10-16/h2-5,14H,6-11,15H2,1H3
InChIKeyGUOLJCMUTAHAGV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.41
Rot. Bonds5

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine

1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine (PubChem CID 55080824) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
PubChem CID55080824
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O/c1-17-9-7-14(15)11-16-8-6-12-4-2-3-5-13(12)10-16/h2-5,14H,6-11,15H2,1H3
InChIKeyGUOLJCMUTAHAGV-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
CID 62476969
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 62575146
2-(2-chloro-2-phenylethyl)-3,4-dihydro-1H-isoquinoline
CID 82214226
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16787975
(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanenitrile
CID 39161361
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine
CID 62477828
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine (CID 55080824) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine is COCCC(N)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine?
The InChIKey is GUOLJCMUTAHAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-9-7-14(15)11-16-8-6-12-4-2-3-5-13(12)10-16/h2-5,14H,6-11,15H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine has a molecular weight of 234.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine is sourced from PubChem (CID 55080824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).