1-ethyl-7-fluoroisoquinolin-3-amine

C11H11FN2 — CID 146652892

IUPAC1-ethyl-7-fluoroisoquinolin-3-amine
SMILESCCc1nc(N)cc2ccc(F)cc12
InChIInChI=1S/C11H11FN2/c1-2-10-9-6-8(12)4-3-7(9)5-11(13)14-10/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyMEEBZGHMOLODPQ-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.52
Rot. Bonds1

About 1-ethyl-7-fluoroisoquinolin-3-amine

1-ethyl-7-fluoroisoquinolin-3-amine (PubChem CID 146652892) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-ethyl-7-fluoroisoquinolin-3-amine.

Molecular Properties

Compound Name1-ethyl-7-fluoroisoquinolin-3-amine
PubChem CID146652892
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-ethyl-7-fluoroisoquinolin-3-amine
SMILESCCc1nc(N)cc2ccc(F)cc12
InChIInChI=1S/C11H11FN2/c1-2-10-9-6-8(12)4-3-7(9)5-11(13)14-10/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyMEEBZGHMOLODPQ-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-5-fluoropyridin-2-amine
CID 153053935
1-ethyl-7-fluoronaphthalene
CID 166534047
8-ethyl-1,7-naphthyridin-6-amine
CID 53237023
3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine
CID 175711134
7-fluoro-1-propan-2-ylnaphthalen-2-amine
CID 115057667
7-fluoro-4-methylquinolin-2-amine
CID 84618364
5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine
CID 155778631
5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine;hydrochloride
CID 166059230
2-ethyl-7-fluoroquinoline
CID 118449779
2-ethyl-6-fluoronaphthalene
CID 58787061
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80934212
3-ethyl-6-fluoroquinolin-2-amine
CID 17039689

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-fluoroisoquinolin-3-amine?
The IUPAC name of 1-ethyl-7-fluoroisoquinolin-3-amine (CID 146652892) is 1-ethyl-7-fluoroisoquinolin-3-amine.
What is the SMILES notation for 1-ethyl-7-fluoroisoquinolin-3-amine?
The canonical SMILES for 1-ethyl-7-fluoroisoquinolin-3-amine is CCc1nc(N)cc2ccc(F)cc12.
What is the InChIKey of 1-ethyl-7-fluoroisoquinolin-3-amine?
The InChIKey is MEEBZGHMOLODPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-2-10-9-6-8(12)4-3-7(9)5-11(13)14-10/h3-6H,2H2,1H3,(H2,13,14).
What are the key properties of 1-ethyl-7-fluoroisoquinolin-3-amine?
1-ethyl-7-fluoroisoquinolin-3-amine has a molecular weight of 190.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-fluoroisoquinolin-3-amine is sourced from PubChem (CID 146652892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).