2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride

C16H21ClN4 — CID 118705147

IUPAC2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride
SMILESCc1c(N)ccnc1CN1CCc2cccc(N)c2C1.Cl
InChIInChI=1S/C16H20N4.ClH/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20;/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19);1H
InChIKeyIOSWOTOGVJJTGK-UHFFFAOYSA-N
MW304.83 g/mol
LogP2.53
Rot. Bonds2

About 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride

2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride (PubChem CID 118705147) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride
PubChem CID118705147
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride
SMILESCc1c(N)ccnc1CN1CCc2cccc(N)c2C1.Cl
InChIInChI=1S/C16H20N4.ClH/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20;/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19);1H
InChIKeyIOSWOTOGVJJTGK-UHFFFAOYSA-N
XLogP2.53
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494
2-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114521933
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522540
2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114556435
2-[(3-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 106817889
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524104
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522644
2-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methylphenol
CID 114522227
2-[(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522016
2-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522622
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-2-ol
CID 114524064

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride?
The IUPAC name of 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride (CID 118705147) is 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride.
What is the SMILES notation for 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride?
The canonical SMILES for 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride is Cc1c(N)ccnc1CN1CCc2cccc(N)c2C1.Cl.
What is the InChIKey of 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride?
The InChIKey is IOSWOTOGVJJTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4.ClH/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20;/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19);1H.
What are the key properties of 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride?
2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride has a molecular weight of 304.83 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine;hydrochloride is sourced from PubChem (CID 118705147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).