2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine

C11H18FN — CID 143410963

IUPAC2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1=CC=C(F)CC1C
InChIInChI=1S/C11H18FN/c1-8-7-9(12)5-6-10(8)11(2,3)13-4/h5-6,8,13H,7H2,1-4H3
InChIKeyHOMRHHOCZBXJCE-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.80
Rot. Bonds2

About 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine

2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine (PubChem CID 143410963) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine
PubChem CID143410963
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1=CC=C(F)CC1C
InChIInChI=1S/C11H18FN/c1-8-7-9(12)5-6-10(8)11(2,3)13-4/h5-6,8,13H,7H2,1-4H3
InChIKeyHOMRHHOCZBXJCE-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine (CID 143410963) is 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine is CNC(C)(C)C1=CC=C(F)CC1C.
What is the InChIKey of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine?
The InChIKey is HOMRHHOCZBXJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-8-7-9(12)5-6-10(8)11(2,3)13-4/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine?
2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine has a molecular weight of 183.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 143410963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).