2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

C10H14N2 — CID 12999506

IUPAC2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2ccc(N)cc2C1
InChIInChI=1S/C10H14N2/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7,11H2,1H3
InChIKeyVRKLIVSHUQSRNF-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.26
Rot. Bonds

About 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 12999506) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID12999506
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2ccc(N)cc2C1
InChIInChI=1S/C10H14N2/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7,11H2,1H3
InChIKeyVRKLIVSHUQSRNF-UHFFFAOYSA-N
XLogP1.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.26
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

Nomifensine
CID 4528
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
1-(2,3-Xylyl)piperazine
CID 70541
1-(3,4-Xylyl)piperazine
CID 2723782
1,2,3,4-Tetrahydro-7-nitroisoquinoline
CID 6424833
3-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
CID 15407445
5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499
4-[(2-Methylpiperidin-1-yl)methyl]aniline
CID 3159023
4-((4-Methylpiperazin-1-yl)methyl)aniline
CID 3153996
Benzenemethanamine, 4-amino-N,N-dimethyl-
CID 308051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 12999506) is 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is CN1CCc2ccc(N)cc2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is VRKLIVSHUQSRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7,11H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
2-methyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 162.24 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 12999506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).