2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine

C14H17N3 — CID 170029413

IUPAC2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2c(cc(N)cc2-c2ccc[nH]2)C1
InChIInChI=1S/C14H17N3/c1-17-6-4-12-10(9-17)7-11(15)8-13(12)14-3-2-5-16-14/h2-3,5,7-8,16H,4,6,9,15H2,1H3
InChIKeyRRIITQTXNRPACT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.25
Rot. Bonds1

About 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine

2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 170029413) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID170029413
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCN1CCc2c(cc(N)cc2-c2ccc[nH]2)C1
InChIInChI=1S/C14H17N3/c1-17-6-4-12-10(9-17)7-11(15)8-13(12)14-3-2-5-16-14/h2-3,5,7-8,16H,4,6,9,15H2,1H3
InChIKeyRRIITQTXNRPACT-UHFFFAOYSA-N
XLogP2.25
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201726
5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine
CID 167201846
2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201837
5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201747
5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201751
6-amino-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84656601
7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 18687351
5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 70258346
[3-(7-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)phenyl]methanamine
CID 82583671
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
7-tert-butyl-2-methyl-5-prop-1-ynyl-3,4-dihydro-1H-isoquinoline
CID 171575502
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine (CID 170029413) is 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine is CN1CCc2c(cc(N)cc2-c2ccc[nH]2)C1.
What is the InChIKey of 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is RRIITQTXNRPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-6-4-12-10(9-17)7-11(15)8-13(12)14-3-2-5-16-14/h2-3,5,7-8,16H,4,6,9,15H2,1H3.
What are the key properties of 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 227.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 170029413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).