7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine

C12H14FN3 — CID 82572366

IUPAC7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
SMILESCNc1cnc(N(C)C)c2cc(F)ccc12
InChIInChI=1S/C12H14FN3/c1-14-11-7-15-12(16(2)3)10-6-8(13)4-5-9(10)11/h4-7,14H,1-3H3
InChIKeyWRENNJOFZNAGGW-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.48
Rot. Bonds2

About 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine

7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine (PubChem CID 82572366) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine.

Molecular Properties

Compound Name7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
PubChem CID82572366
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
SMILESCNc1cnc(N(C)C)c2cc(F)ccc12
InChIInChI=1S/C12H14FN3/c1-14-11-7-15-12(16(2)3)10-6-8(13)4-5-9(10)11/h4-7,14H,1-3H3
InChIKeyWRENNJOFZNAGGW-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
CID 82572368
7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
CID 82572376
7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine
CID 82572373
1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine
CID 82572283
7-fluoro-N-methylnaphthalen-1-amine
CID 131178796
5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine
CID 118249147
4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine
CID 82572343
2,4-difluoro-N-methylaniline;methane
CID 157160236
N,N,3-trimethyl-5-[4-(methylamino)phenyl]pyridin-2-amine
CID 134417339
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
2-chloro-4-fluoro-N-methylaniline
CID 21161232
6-fluoro-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62202391

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine?
The IUPAC name of 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine (CID 82572366) is 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine.
What is the SMILES notation for 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine?
The canonical SMILES for 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine is CNc1cnc(N(C)C)c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine?
The InChIKey is WRENNJOFZNAGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-14-11-7-15-12(16(2)3)10-6-8(13)4-5-9(10)11/h4-7,14H,1-3H3.
What are the key properties of 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine?
7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine has a molecular weight of 219.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine is sourced from PubChem (CID 82572366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).