(E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine

C15H22FNO — CID 95462072

IUPAC(E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine
SMILESCCOc1ccc(/C(=C/CCN)C(C)C)cc1F
InChIInChI=1S/C15H22FNO/c1-4-18-15-8-7-12(10-14(15)16)13(11(2)3)6-5-9-17/h6-8,10-11H,4-5,9,17H2,1-3H3/b13-6+
InChIKeyWSRYGFMMVGDVEY-AWNIVKPZSA-N
MW251.34 g/mol
LogP3.61
Rot. Bonds6

About (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine

(E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine (PubChem CID 95462072) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine
PubChem CID95462072
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine
SMILESCCOc1ccc(/C(=C/CCN)C(C)C)cc1F
InChIInChI=1S/C15H22FNO/c1-4-18-15-8-7-12(10-14(15)16)13(11(2)3)6-5-9-17/h6-8,10-11H,4-5,9,17H2,1-3H3/b13-6+
InChIKeyWSRYGFMMVGDVEY-AWNIVKPZSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
CID 63970099
(E)-3-(4-ethoxy-3-fluorophenyl)but-2-enoic acid
CID 82287324
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
CID 95441414
2-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840428
3-(4-ethoxy-3-fluorophenyl)-3-oxopropanenitrile
CID 116919053
4-(4-ethoxy-3-fluorophenyl)-3-methylbutan-1-amine
CID 116924857
1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826759
(2E,4E)-5-(4-ethoxy-3-fluorophenyl)hexa-2,4-dienoic acid
CID 116822535
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
CID 116847967

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine?
The IUPAC name of (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine (CID 95462072) is (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine?
The canonical SMILES for (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine is CCOc1ccc(/C(=C/CCN)C(C)C)cc1F.
What is the InChIKey of (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine?
The InChIKey is WSRYGFMMVGDVEY-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-18-15-8-7-12(10-14(15)16)13(11(2)3)6-5-9-17/h6-8,10-11H,4-5,9,17H2,1-3H3/b13-6+.
What are the key properties of (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine?
(E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine is sourced from PubChem (CID 95462072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).