N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine

C18H17ClN2 — CID 103144004

IUPACN-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-c1cccc2ccncc12
InChIInChI=1S/C18H17ClN2/c1-2-20-11-14-6-7-15(19)10-17(14)16-5-3-4-13-8-9-21-12-18(13)16/h3-10,12,20H,2,11H2,1H3
InChIKeyRCHQYJVMPAVHAK-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.66
Rot. Bonds4

About N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine

N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine (PubChem CID 103144004) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine
PubChem CID103144004
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-c1cccc2ccncc12
InChIInChI=1S/C18H17ClN2/c1-2-20-11-14-6-7-15(19)10-17(14)16-5-3-4-13-8-9-21-12-18(13)16/h3-10,12,20H,2,11H2,1H3
InChIKeyRCHQYJVMPAVHAK-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-isoquinolin-8-ylbenzoic acid
CID 107989947
N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine
CID 115484378
N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
CID 115482556
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
CID 103144332
4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074411
8-(2-fluoro-4-methylphenyl)isoquinoline
CID 90260610
N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545418
N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
CID 103144236
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
8-phenanthren-9-ylisoquinoline
CID 171383107
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine (CID 103144004) is N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine is CCNCc1ccc(Cl)cc1-c1cccc2ccncc12.
What is the InChIKey of N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine?
The InChIKey is RCHQYJVMPAVHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-2-20-11-14-6-7-15(19)10-17(14)16-5-3-4-13-8-9-21-12-18(13)16/h3-10,12,20H,2,11H2,1H3.
What are the key properties of N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine?
N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine has a molecular weight of 296.80 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-isoquinolin-8-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 103144004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).