N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine

C17H20ClN3 — CID 114925111

IUPACN-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CCc3ccccc3C2)ncc1Cl
InChIInChI=1S/C17H20ClN3/c1-2-19-10-15-9-17(20-11-16(15)18)21-8-7-13-5-3-4-6-14(13)12-21/h3-6,9,11,19H,2,7-8,10,12H2,1H3
InChIKeyKAVNMDVLTHLDAV-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.41
Rot. Bonds4

About N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine

N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 114925111) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID114925111
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CCc3ccccc3C2)ncc1Cl
InChIInChI=1S/C17H20ClN3/c1-2-19-10-15-9-17(20-11-16(15)18)21-8-7-13-5-3-4-6-14(13)12-21/h3-6,9,11,19H,2,7-8,10,12H2,1H3
InChIKeyKAVNMDVLTHLDAV-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 114924863
N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114924865
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81248813
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545814
N-[[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926598
1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine
CID 114925026
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine
CID 114926849
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 43313766
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502142
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62284463

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine (CID 114925111) is N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1cc(N2CCc3ccccc3C2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is KAVNMDVLTHLDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-2-19-10-15-9-17(20-11-16(15)18)21-8-7-13-5-3-4-6-14(13)12-21/h3-6,9,11,19H,2,7-8,10,12H2,1H3.
What are the key properties of N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine?
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 301.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114925111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).