7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine

C14H18FN3 — CID 82572368

IUPAC7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
SMILESCC(C)Nc1cnc(N(C)C)c2cc(F)ccc12
InChIInChI=1S/C14H18FN3/c1-9(2)17-13-8-16-14(18(3)4)12-7-10(15)5-6-11(12)13/h5-9,17H,1-4H3
InChIKeyCOQKPWXBCMVRES-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.26
Rot. Bonds3

About 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine

7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine (PubChem CID 82572368) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine.

Molecular Properties

Compound Name7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
PubChem CID82572368
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
SMILESCC(C)Nc1cnc(N(C)C)c2cc(F)ccc12
InChIInChI=1S/C14H18FN3/c1-9(2)17-13-8-16-14(18(3)4)12-7-10(15)5-6-11(12)13/h5-9,17H,1-4H3
InChIKeyCOQKPWXBCMVRES-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine with MolForge

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Related Compounds

7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
CID 82572366
8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
CID 82572449
7-ethyl-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
CID 82572376
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine
CID 82572283
7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine
CID 82572373
4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine
CID 82572343
5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine
CID 118249147
3-N-[1-(5-fluoro-2-pyridinyl)propyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 115938549
3-N-(1,1-difluoropropan-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 102868575
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247233

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine?
The IUPAC name of 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine (CID 82572368) is 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine.
What is the SMILES notation for 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine?
The canonical SMILES for 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine is CC(C)Nc1cnc(N(C)C)c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine?
The InChIKey is COQKPWXBCMVRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9(2)17-13-8-16-14(18(3)4)12-7-10(15)5-6-11(12)13/h5-9,17H,1-4H3.
What are the key properties of 7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine?
7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine has a molecular weight of 247.32 g/mol, XLogP of 3.26, 3 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-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine is sourced from PubChem (CID 82572368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).