4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine

C10H17FN2O — CID 70999781

IUPAC4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine
SMILESCN(C)CCOC1=C(F)C=C(N)CC1
InChIInChI=1S/C10H17FN2O/c1-13(2)5-6-14-10-4-3-8(12)7-9(10)11/h7H,3-6,12H2,1-2H3
InChIKeyRAXPPTWIFGVTPV-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.38
Rot. Bonds4

About 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine

4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine (PubChem CID 70999781) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine
PubChem CID70999781
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine
SMILESCN(C)CCOC1=C(F)C=C(N)CC1
InChIInChI=1S/C10H17FN2O/c1-13(2)5-6-14-10-4-3-8(12)7-9(10)11/h7H,3-6,12H2,1-2H3
InChIKeyRAXPPTWIFGVTPV-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine (CID 70999781) is 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine is CN(C)CCOC1=C(F)C=C(N)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine?
The InChIKey is RAXPPTWIFGVTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-13(2)5-6-14-10-4-3-8(12)7-9(10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine?
4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine has a molecular weight of 200.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-3-fluorocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70999781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).