1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine

C11H18FN — CID 89318310

IUPAC1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine
SMILESCCC1=C[C@@H](F)C(C(C)N)C=C1C
InChIInChI=1S/C11H18FN/c1-4-9-6-11(12)10(8(3)13)5-7(9)2/h5-6,8,10-11H,4,13H2,1-3H3/t8?,10?,11-/m1/s1
InChIKeyMRNIGQWBTZCAIR-BOBPJJCASA-N
MW183.27 g/mol
LogP2.58
Rot. Bonds2

About 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine

1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine (PubChem CID 89318310) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine.

Molecular Properties

Compound Name1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine
PubChem CID89318310
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine
SMILESCCC1=C[C@@H](F)C(C(C)N)C=C1C
InChIInChI=1S/C11H18FN/c1-4-9-6-11(12)10(8(3)13)5-7(9)2/h5-6,8,10-11H,4,13H2,1-3H3/t8?,10?,11-/m1/s1
InChIKeyMRNIGQWBTZCAIR-BOBPJJCASA-N
XLogP2.58
TPSA26.02 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-4-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68028129
6-(2,2-Dimethylpropyl)-3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 68045081
4-Ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-amine
CID 68084234
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
2-Fluoro-5-methylcyclohexa-2,4-dien-1-amine
CID 68390722
6-Fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68854686
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480
2-(4-Fluoro-3-methylcyclohexa-1,5-dien-1-yl)ethanamine
CID 89024296
(4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine
CID 89153967
2-[(4R)-4-fluoro-3-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 89191433
2-[(4S)-4,5-difluorocyclohexa-1,5-dien-1-yl]cyclopropan-1-amine
CID 89298069
(2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine
CID 89318078

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine?
The IUPAC name of 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine (CID 89318310) is 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine.
What is the SMILES notation for 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine?
The canonical SMILES for 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine is CCC1=C[C@@H](F)C(C(C)N)C=C1C.
What is the InChIKey of 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine?
The InChIKey is MRNIGQWBTZCAIR-BOBPJJCASA-N. The full InChI is InChI=1S/C11H18FN/c1-4-9-6-11(12)10(8(3)13)5-7(9)2/h5-6,8,10-11H,4,13H2,1-3H3/t8?,10?,11-/m1/s1.
What are the key properties of 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine?
1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine has a molecular weight of 183.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine is sourced from PubChem (CID 89318310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).