(E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine

C14H20FN — CID 103093456

IUPAC(E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(F)cc1C
InChIInChI=1S/C14H20FN/c1-5-16-12(4)10(2)8-13-6-7-14(15)9-11(13)3/h6-9,12,16H,5H2,1-4H3/b10-8+
InChIKeyHNUZWMRYICIESG-CSKARUKUSA-N
MW221.32 g/mol
LogP3.54
Rot. Bonds4

About (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine

(E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine (PubChem CID 103093456) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine
PubChem CID103093456
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(F)cc1C
InChIInChI=1S/C14H20FN/c1-5-16-12(4)10(2)8-13-6-7-14(15)9-11(13)3/h6-9,12,16H,5H2,1-4H3/b10-8+
InChIKeyHNUZWMRYICIESG-CSKARUKUSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093148
(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093212
3-(4-fluoro-2-methylphenyl)-2-methylprop-2-en-1-amine
CID 79330402
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
(E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine
CID 103093413
5-[(E)-3-(ethylamino)-2-methylbut-1-enyl]-2-fluorobenzonitrile
CID 114018091
(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093795
(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093674
3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116566877
(Z)-2-(4-fluoro-2-methylphenyl)ethenol
CID 134485397
(2E)-2-[(5-fluoro-2-methylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 114075399

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine (CID 103093456) is (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine is CCNC(C)/C(C)=C/c1ccc(F)cc1C.
What is the InChIKey of (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine?
The InChIKey is HNUZWMRYICIESG-CSKARUKUSA-N. The full InChI is InChI=1S/C14H20FN/c1-5-16-12(4)10(2)8-13-6-7-14(15)9-11(13)3/h6-9,12,16H,5H2,1-4H3/b10-8+.
What are the key properties of (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine?
(E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103093456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).