1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine

C17H14Cl2N2 — CID 115856317

IUPAC1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)c1cncc2ccccc12
InChIInChI=1S/C17H14Cl2N2/c1-20-17(12-6-13(18)8-14(19)7-12)16-10-21-9-11-4-2-3-5-15(11)16/h2-10,17,20H,1H3
InChIKeyUCUXRILZLKHKKQ-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.85
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine

1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine (PubChem CID 115856317) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
PubChem CID115856317
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)c1cncc2ccccc12
InChIInChI=1S/C17H14Cl2N2/c1-20-17(12-6-13(18)8-14(19)7-12)16-10-21-9-11-4-2-3-5-15(11)16/h2-10,17,20H,1H3
InChIKeyUCUXRILZLKHKKQ-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
CID 105147444
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103444277
1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 105147366
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143
1-(4,5-dibromothiophen-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856280
1-(3-bromo-2-methylphenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856144
[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105280102
2-(3-chlorophenyl)-1-isoquinolin-4-yl-N-methylethanamine
CID 63940548
1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107975243

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine (CID 115856317) is 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine is CNC(c1cc(Cl)cc(Cl)c1)c1cncc2ccccc12.
What is the InChIKey of 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The InChIKey is UCUXRILZLKHKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-20-17(12-6-13(18)8-14(19)7-12)16-10-21-9-11-4-2-3-5-15(11)16/h2-10,17,20H,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine?
1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine has a molecular weight of 317.22 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine is sourced from PubChem (CID 115856317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).