N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine

C12H17ClN2 — CID 105482669

IUPACN-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
SMILESCCNCC1NCCc2ccc(Cl)cc21
InChIInChI=1S/C12H17ClN2/c1-2-14-8-12-11-7-10(13)4-3-9(11)5-6-15-12/h3-4,7,12,14-15H,2,5-6,8H2,1H3
InChIKeyXKYBJRIEBINKOP-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.14
Rot. Bonds3

About N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine

N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine (PubChem CID 105482669) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
PubChem CID105482669
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
SMILESCCNCC1NCCc2ccc(Cl)cc21
InChIInChI=1S/C12H17ClN2/c1-2-14-8-12-11-7-10(13)4-3-9(11)5-6-15-12/h3-4,7,12,14-15H,2,5-6,8H2,1H3
InChIKeyXKYBJRIEBINKOP-UHFFFAOYSA-N
XLogP2.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-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-[(6-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
CID 105482674
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10465263
(5S)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 23652278
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 143007161
2,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)butan-1-amine
CID 103462256
1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 105495017
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrate;hydrochloride
CID 11658859
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrate;dihydrochloride
CID 66613234
N-[(6-chloro-1,2,3,4-tetrahydroquinolin-3-yl)methyl]ethanamine
CID 105482686
7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 62373433

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine?
The IUPAC name of N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine (CID 105482669) is N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine is CCNCC1NCCc2ccc(Cl)cc21.
What is the InChIKey of N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine?
The InChIKey is XKYBJRIEBINKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-14-8-12-11-7-10(13)4-3-9(11)5-6-15-12/h3-4,7,12,14-15H,2,5-6,8H2,1H3.
What are the key properties of N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine?
N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine has a molecular weight of 224.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine is sourced from PubChem (CID 105482669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).