(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine

C17H19ClN2 — CID 63368334

IUPAC(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C17H19ClN2/c1-12(19)14-6-7-17(16(18)10-14)20-9-8-13-4-2-3-5-15(13)11-20/h2-7,10,12H,8-9,11,19H2,1H3/t12-/m1/s1
InChIKeyLGSPWKOSPZQBQL-GFCCVEGCSA-N
MW286.81 g/mol
LogP3.92
Rot. Bonds2

About (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine

(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine (PubChem CID 63368334) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
PubChem CID63368334
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C17H19ClN2/c1-12(19)14-6-7-17(16(18)10-14)20-9-8-13-4-2-3-5-15(13)11-20/h2-7,10,12H,8-9,11,19H2,1H3/t12-/m1/s1
InChIKeyLGSPWKOSPZQBQL-GFCCVEGCSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
(1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 104921307
4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one
CID 64695306
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
4-[4-(1-aminoethyl)-2-chlorophenyl]piperazine-2,6-dione
CID 66083936
4-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]piperazin-2-one
CID 78935671
(1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63532975
4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methyl-1,4-diazepan-2-one
CID 102889325
(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496697
(1R)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496695
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine (CID 63368334) is (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCc3ccccc3C2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine?
The InChIKey is LGSPWKOSPZQBQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-12(19)14-6-7-17(16(18)10-14)20-9-8-13-4-2-3-5-15(13)11-20/h2-7,10,12H,8-9,11,19H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine?
(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine has a molecular weight of 286.81 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 63368334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).