(7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine

C12H17ClN2 — CID 22168087

IUPAC(7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine
SMILESCN1CCc2ccc(Cl)cc2C1(C)CN
InChIInChI=1S/C12H17ClN2/c1-12(8-14)11-7-10(13)4-3-9(11)5-6-15(12)2/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyOIWMBUMKDHLDQY-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.00
Rot. Bonds1

About (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine

(7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine (PubChem CID 22168087) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine
PubChem CID22168087
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name(7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine
SMILESCN1CCc2ccc(Cl)cc2C1(C)CN
InChIInChI=1S/C12H17ClN2/c1-12(8-14)11-7-10(13)4-3-9(11)5-6-15(12)2/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyOIWMBUMKDHLDQY-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine 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

2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
2-(aminomethyl)-6-chloro-3,4-dihydro-1H-naphthalen-2-ol
CID 105465643
5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]
CID 133063265
6-chloro-4-isocyanato-4-methyl-2,3-dihydro-1H-naphthalene
CID 115033067
2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84624761
3-(5-chloro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
CID 121353781
[2-(5-chloro-2-methoxyphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007249
7-chloro-3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepine
CID 90103083
6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 84736618

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine?
The IUPAC name of (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine (CID 22168087) is (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine.
What is the SMILES notation for (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine?
The canonical SMILES for (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine is CN1CCc2ccc(Cl)cc2C1(C)CN.
What is the InChIKey of (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine?
The InChIKey is OIWMBUMKDHLDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-12(8-14)11-7-10(13)4-3-9(11)5-6-15(12)2/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine?
(7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine has a molecular weight of 224.73 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methanamine is sourced from PubChem (CID 22168087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).