N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine

C17H20ClN3 — CID 105164741

IUPACN-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1ccncc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C17H20ClN3/c1-2-20-17(13-8-10-19-11-15(13)18)14-7-3-5-12-6-4-9-21-16(12)14/h4,6,8-11,14,17,20H,2-3,5,7H2,1H3
InChIKeyVANUNPQPTFCKBJ-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.90
Rot. Bonds4

About N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine

N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine (PubChem CID 105164741) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
PubChem CID105164741
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1ccncc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C17H20ClN3/c1-2-20-17(13-8-10-19-11-15(13)18)14-7-3-5-12-6-4-9-21-16(12)14/h4,6,8-11,14,17,20H,2-3,5,7H2,1H3
InChIKeyVANUNPQPTFCKBJ-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 105166117
(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111318
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
CID 79745697
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine
CID 105164757
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923636
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556
N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007293
N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153760
1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106858088
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105166089

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine (CID 105164741) is N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine is CCNC(c1ccncc1Cl)C1CCCc2cccnc21.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The InChIKey is VANUNPQPTFCKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-2-20-17(13-8-10-19-11-15(13)18)14-7-3-5-12-6-4-9-21-16(12)14/h4,6,8-11,14,17,20H,2-3,5,7H2,1H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine has a molecular weight of 301.82 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine is sourced from PubChem (CID 105164741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).