3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine

C14H18N2O — CID 82576731

IUPAC3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine
SMILESCOc1ccc(CC(C)CN)c2ccncc12
InChIInChI=1S/C14H18N2O/c1-10(8-15)7-11-3-4-14(17-2)13-9-16-6-5-12(11)13/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyPZOPSTGVRHQLFB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.38
Rot. Bonds4

About 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine

3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine (PubChem CID 82576731) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine
PubChem CID82576731
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine
SMILESCOc1ccc(CC(C)CN)c2ccncc12
InChIInChI=1S/C14H18N2O/c1-10(8-15)7-11-3-4-14(17-2)13-9-16-6-5-12(11)13/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyPZOPSTGVRHQLFB-UHFFFAOYSA-N
XLogP2.38
TPSA48.14 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dimethoxyisoquinolin-1-yl)-2-methylpropan-1-amine
CID 82576762
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
1-(8-methylisoquinolin-5-yl)propan-2-amine
CID 82577426
3-(6-methoxyquinolin-5-yl)-2-methylpropan-1-amine
CID 82576944
1-(3-methoxy-4-pyridinyl)propan-2-amine
CID 112712024
5,6,8-trimethoxyisoquinoline
CID 15715766
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
3-(5-chloro-8-methoxyquinolin-2-yl)-2-methylpropan-1-amine
CID 82246747

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine (CID 82576731) is 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine is COc1ccc(CC(C)CN)c2ccncc12.
What is the InChIKey of 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine?
The InChIKey is PZOPSTGVRHQLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(8-15)7-11-3-4-14(17-2)13-9-16-6-5-12(11)13/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine?
3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82576731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).