4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride

C16H19Cl2N — CID 17387207

IUPAC4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride
SMILESCC1(C)Cc2c(ccc3ccccc23)C(CCl)N1.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-16(2)9-14-12-6-4-3-5-11(12)7-8-13(14)15(10-17)18-16;/h3-8,15,18H,9-10H2,1-2H3;1H
InChIKeyVLCJGFBUSHMCIG-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.47
Rot. Bonds1

About 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride

4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride (PubChem CID 17387207) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride
PubChem CID17387207
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC Name4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride
SMILESCC1(C)Cc2c(ccc3ccccc23)C(CCl)N1.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-16(2)9-14-12-6-4-3-5-11(12)7-8-13(14)15(10-17)18-16;/h3-8,15,18H,9-10H2,1-2H3;1H
InChIKeyVLCJGFBUSHMCIG-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride 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

(4S)-4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-3-ium
CID 6923705
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-4-yl)acetate;hydrochloride
CID 53348514
(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol
CID 23160849
spiro[1,3-dihydrocyclopenta[a]naphthalene-2,4'-piperidine]-3-amine
CID 155649427
4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 55068561
1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
CID 175297840
2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine
CID 101443770
ethane;(13R,14R,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-ol
CID 91344405
(2S,3aR)-2-hydroxy-11,11-dimethyl-2,3,3a,10-tetrahydronaphtho[1,2-g]indolizin-1-one
CID 7762179
13-methylspiro[12,14,15,17-tetrahydro-11H-cyclopenta[a]phenanthrene-16,2'-cyclobutane]-1'-one
CID 606472
1-[(13S,14R,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 22808921
3-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)-2-oxopropanehydrazide
CID 4108389

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride (CID 17387207) is 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride is CC1(C)Cc2c(ccc3ccccc23)C(CCl)N1.Cl.
What is the InChIKey of 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride?
The InChIKey is VLCJGFBUSHMCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN.ClH/c1-16(2)9-14-12-6-4-3-5-11(12)7-8-13(14)15(10-17)18-16;/h3-8,15,18H,9-10H2,1-2H3;1H.
What are the key properties of 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride?
4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride has a molecular weight of 296.24 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline;hydrochloride is sourced from PubChem (CID 17387207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).