1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine

C18H18N2O — CID 63940161

IUPAC1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1)c1cncc2ccccc12
InChIInChI=1S/C18H18N2O/c1-19-18(13-7-9-15(21-2)10-8-13)17-12-20-11-14-5-3-4-6-16(14)17/h3-12,18-19H,1-2H3
InChIKeyPXMQKYBQHUTFFG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.55
Rot. Bonds4

About 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine

1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 63940161) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID63940161
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1)c1cncc2ccccc12
InChIInChI=1S/C18H18N2O/c1-19-18(13-7-9-15(21-2)10-8-13)17-12-20-11-14-5-3-4-6-16(14)17/h3-12,18-19H,1-2H3
InChIKeyPXMQKYBQHUTFFG-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856317
1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
CID 105147444
1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105095031
1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 105147366
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103444277
1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine
CID 79616343
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306457
1-(3-bromo-2-methylphenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856144
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine (CID 63940161) is 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is PXMQKYBQHUTFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-19-18(13-7-9-15(21-2)10-8-13)17-12-20-11-14-5-3-4-6-16(14)17/h3-12,18-19H,1-2H3.
What are the key properties of 1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine?
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.55, 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-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 63940161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).