6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine

C22H28FN — CID 166685924

IUPAC6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine
SMILESC=C1CC2=CC(NC)=CCC2(C)C=C1C1C=CC=CC1C(C)(C)F
InChIInChI=1S/C22H28FN/c1-15-12-16-13-17(24-5)10-11-22(16,4)14-19(15)18-8-6-7-9-20(18)21(2,3)23/h6-10,13-14,18,20,24H,1,11-12H2,2-5H3
InChIKeyNQPVFTBBEWCAQT-UHFFFAOYSA-N
MW325.47 g/mol
LogP5.42
Rot. Bonds3

About 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine

6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine (PubChem CID 166685924) has the molecular formula C22H28FN and a molecular weight of 325.47 g/mol. Its IUPAC name is 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine
PubChem CID166685924
Molecular FormulaC22H28FN
Molecular Weight325.47 g/mol
Exact Mass325.22
IUPAC Name6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine
SMILESC=C1CC2=CC(NC)=CCC2(C)C=C1C1C=CC=CC1C(C)(C)F
InChIInChI=1S/C22H28FN/c1-15-12-16-13-17(24-5)10-11-22(16,4)14-19(15)18-8-6-7-9-20(18)21(2,3)23/h6-10,13-14,18,20,24H,1,11-12H2,2-5H3
InChIKeyNQPVFTBBEWCAQT-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine?
The IUPAC name of 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine (CID 166685924) is 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine.
What is the SMILES notation for 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine?
The canonical SMILES for 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine is C=C1CC2=CC(NC)=CCC2(C)C=C1C1C=CC=CC1C(C)(C)F.
What is the InChIKey of 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine?
The InChIKey is NQPVFTBBEWCAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN/c1-15-12-16-13-17(24-5)10-11-22(16,4)14-19(15)18-8-6-7-9-20(18)21(2,3)23/h6-10,13-14,18,20,24H,1,11-12H2,2-5H3.
What are the key properties of 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine?
6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine has a molecular weight of 325.47 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-fluoropropan-2-yl)cyclohexa-2,4-dien-1-yl]-N,4a-dimethyl-7-methylidene-4,8-dihydronaphthalen-2-amine is sourced from PubChem (CID 166685924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).