(1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine

C11H18FN — CID 155197945

IUPAC(1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(F)[C@@H](N(C)C)C=C1
InChIInChI=1S/C11H18FN/c1-8(2)9-5-6-11(13(3)4)10(12)7-9/h5-8,10-11H,1-4H3/t10?,11-/m0/s1
InChIKeyZUKKXTMAJMDMDC-DTIOYNMSSA-N
MW183.27 g/mol
LogP2.41
Rot. Bonds2

About (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine

(1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 155197945) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID155197945
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(F)[C@@H](N(C)C)C=C1
InChIInChI=1S/C11H18FN/c1-8(2)9-5-6-11(13(3)4)10(12)7-9/h5-8,10-11H,1-4H3/t10?,11-/m0/s1
InChIKeyZUKKXTMAJMDMDC-DTIOYNMSSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
CID 91405121
(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
CID 126490053
1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 129059918
(2Z,5Z)-5-[(Z)-but-1-enyl]-8-fluoro-N,N,8-trimethylnona-2,5-dien-1-amine
CID 132151936
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304
1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine
CID 134534340

Frequently Asked Questions

What is the IUPAC name of (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 155197945) is (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)C1=CC(F)[C@@H](N(C)C)C=C1.
What is the InChIKey of (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZUKKXTMAJMDMDC-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H18FN/c1-8(2)9-5-6-11(13(3)4)10(12)7-9/h5-8,10-11H,1-4H3/t10?,11-/m0/s1.
What are the key properties of (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine?
(1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 155197945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).