(1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine

C18H26FNO — CID 143743104

IUPAC(1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine
SMILESCCC(/C=C(\C=C(/NC)c1ccc(F)cc1)OC)C(C)C
InChIInChI=1S/C18H26FNO/c1-6-14(13(2)3)11-17(21-5)12-18(20-4)15-7-9-16(19)10-8-15/h7-14,20H,6H2,1-5H3/b17-11+,18-12-
InChIKeyMXILLFIMDQWUDA-HMQSQOOHSA-N
MW291.41 g/mol
LogP4.60
Rot. Bonds7

About (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine

(1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine (PubChem CID 143743104) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine
PubChem CID143743104
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name(1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine
SMILESCCC(/C=C(\C=C(/NC)c1ccc(F)cc1)OC)C(C)C
InChIInChI=1S/C18H26FNO/c1-6-14(13(2)3)11-17(21-5)12-18(20-4)15-7-9-16(19)10-8-15/h7-14,20H,6H2,1-5H3/b17-11+,18-12-
InChIKeyMXILLFIMDQWUDA-HMQSQOOHSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
CID 144683992
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
CID 144683991
methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate
CID 119051146
1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene
CID 166470478
methyl 2-(4-fluorophenyl)-5-methyl-4-oxohex-2-enoate
CID 141092492
(Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine
CID 123279958
(Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine
CID 164581305
1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one
CID 116923852
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol
CID 139263654
(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide
CID 51095604
N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine
CID 10106253

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine (CID 143743104) is (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine is CCC(/C=C(\C=C(/NC)c1ccc(F)cc1)OC)C(C)C.
What is the InChIKey of (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine?
The InChIKey is MXILLFIMDQWUDA-HMQSQOOHSA-N. The full InChI is InChI=1S/C18H26FNO/c1-6-14(13(2)3)11-17(21-5)12-18(20-4)15-7-9-16(19)10-8-15/h7-14,20H,6H2,1-5H3/b17-11+,18-12-.
What are the key properties of (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine?
(1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine has a molecular weight of 291.41 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-ethyl-1-(4-fluorophenyl)-3-methoxy-N,6-dimethylhepta-1,3-dien-1-amine is sourced from PubChem (CID 143743104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).