2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine

C11H18FNO — CID 144598159

IUPAC2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
SMILESCOCCN(C)C1=C(F)C=C(C)CC1
InChIInChI=1S/C11H18FNO/c1-9-4-5-11(10(12)8-9)13(2)6-7-14-3/h8H,4-7H2,1-3H3
InChIKeyYSQPUFVECTXAPO-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.49
Rot. Bonds4

About 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine

2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 144598159) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID144598159
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
SMILESCOCCN(C)C1=C(F)C=C(C)CC1
InChIInChI=1S/C11H18FNO/c1-9-4-5-11(10(12)8-9)13(2)6-7-14-3/h8H,4-7H2,1-3H3
InChIKeyYSQPUFVECTXAPO-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine (CID 144598159) is 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine is COCCN(C)C1=C(F)C=C(C)CC1.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is YSQPUFVECTXAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-9-4-5-11(10(12)8-9)13(2)6-7-14-3/h8H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine?
2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 199.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144598159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).