2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

C18H21ClN2 — CID 80648824

IUPAC2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESClc1ccc(CCNCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H21ClN2/c19-17-8-6-14(7-9-17)10-12-20-13-16-4-1-3-15-5-2-11-21-18(15)16/h1,3-4,6-9,20-21H,2,5,10-13H2
InChIKeyCYGQHDJANSFBHO-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.03
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (PubChem CID 80648824) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
PubChem CID80648824
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESClc1ccc(CCNCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H21ClN2/c19-17-8-6-14(7-9-17)10-12-20-13-16-4-1-3-15-5-2-11-21-18(15)16/h1,3-4,6-9,20-21H,2,5,10-13H2
InChIKeyCYGQHDJANSFBHO-UHFFFAOYSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine
CID 125424059
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
2-(1-methylimidazol-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648410
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649779
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80649190
1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648841

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (CID 80648824) is 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is Clc1ccc(CCNCc2cccc3c2NCCC3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The InChIKey is CYGQHDJANSFBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-17-8-6-14(7-9-17)10-12-20-13-16-4-1-3-15-5-2-11-21-18(15)16/h1,3-4,6-9,20-21H,2,5,10-13H2.
What are the key properties of 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine has a molecular weight of 300.83 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 80648824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).