N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine

C17H15ClN2O — CID 115742878

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine
SMILESCOc1cccc(Cl)c1CNc1cccc2cnccc12
InChIInChI=1S/C17H15ClN2O/c1-21-17-7-3-5-15(18)14(17)11-20-16-6-2-4-12-10-19-9-8-13(12)16/h2-10,20H,11H2,1H3
InChIKeyPLBDVLCJUXYVOM-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.51
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine

N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine (PubChem CID 115742878) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine
PubChem CID115742878
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine
SMILESCOc1cccc(Cl)c1CNc1cccc2cnccc12
InChIInChI=1S/C17H15ClN2O/c1-21-17-7-3-5-15(18)14(17)11-20-16-6-2-4-12-10-19-9-8-13(12)16/h2-10,20H,11H2,1H3
InChIKeyPLBDVLCJUXYVOM-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
N-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-5-amine
CID 43229368
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]isoquinolin-5-amine
CID 115742879
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine
CID 142430528
N-[(2,6-dimethoxyphenyl)methyl]isoquinoline-5-sulfonamide
CID 25036128
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine (CID 115742878) is N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine is COc1cccc(Cl)c1CNc1cccc2cnccc12.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine?
The InChIKey is PLBDVLCJUXYVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-21-17-7-3-5-15(18)14(17)11-20-16-6-2-4-12-10-19-9-8-13(12)16/h2-10,20H,11H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine has a molecular weight of 298.77 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine is sourced from PubChem (CID 115742878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).