2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride

C16H19ClN2 — CID 23298431

IUPAC2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H18N2.ClH/c17-16-7-6-14-8-9-18(12-15(14)10-16)11-13-4-2-1-3-5-13;/h1-7,10H,8-9,11-12,17H2;1H
InChIKeyLHBLZKYNEWCOJX-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.25
Rot. Bonds2

About 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride

2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (PubChem CID 23298431) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
PubChem CID23298431
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H18N2.ClH/c17-16-7-6-14-8-9-18(12-15(14)10-16)11-13-4-2-1-3-5-13;/h1-7,10H,8-9,11-12,17H2;1H
InChIKeyLHBLZKYNEWCOJX-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 39358153
6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 57425284
3-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82581927
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 112640977
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-fluoroaniline
CID 112645902
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 114346238
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 106264362
6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
CID 146160543

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The IUPAC name of 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride (CID 23298431) is 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride.
What is the SMILES notation for 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The canonical SMILES for 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is Cl.Nc1ccc2c(c1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
The InChIKey is LHBLZKYNEWCOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.ClH/c17-16-7-6-14-8-9-18(12-15(14)10-16)11-13-4-2-1-3-5-13;/h1-7,10H,8-9,11-12,17H2;1H.
What are the key properties of 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride?
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride is sourced from PubChem (CID 23298431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).