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

C12H20FN — CID 155197686

IUPAC6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(F)C(C)(N(C)C)C=C1
InChIInChI=1S/C12H20FN/c1-9(2)10-6-7-12(3,14(4)5)11(13)8-10/h6-9,11H,1-5H3
InChIKeyIEUMEZQMSGBFAT-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.80
Rot. Bonds2

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

6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 155197686) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID155197686
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(F)C(C)(N(C)C)C=C1
InChIInChI=1S/C12H20FN/c1-9(2)10-6-7-12(3,14(4)5)11(13)8-10/h6-9,11H,1-5H3
InChIKeyIEUMEZQMSGBFAT-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 155197686) is 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)C1=CC(F)C(C)(N(C)C)C=C1.
What is the InChIKey of 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is IEUMEZQMSGBFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-9(2)10-6-7-12(3,14(4)5)11(13)8-10/h6-9,11H,1-5H3.
What are the key properties of 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 197.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 155197686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).