4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine

C10H16FN — CID 166888372

IUPAC4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)NC1C=CC(F)=CC1C
InChIInChI=1S/C10H16FN/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-8,10,12H,1-3H3
InChIKeyUHQXJNTZSNKZIM-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.41
Rot. Bonds2

About 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine

4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 166888372) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID166888372
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)NC1C=CC(F)=CC1C
InChIInChI=1S/C10H16FN/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-8,10,12H,1-3H3
InChIKeyUHQXJNTZSNKZIM-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 166888372) is 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)NC1C=CC(F)=CC1C.
What is the InChIKey of 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is UHQXJNTZSNKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-8,10,12H,1-3H3.
What are the key properties of 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine?
4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 166888372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).