1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine

C14H20FNO — CID 107693440

IUPAC1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine
SMILESC/C=C/COc1ccc(CC(N)CC)cc1F
InChIInChI=1S/C14H20FNO/c1-3-5-8-17-14-7-6-11(10-13(14)15)9-12(16)4-2/h3,5-7,10,12H,4,8-9,16H2,1-2H3/b5-3+
InChIKeyCSDOUOZTRKJKOG-HWKANZROSA-N
MW237.32 g/mol
LogP3.06
Rot. Bonds6

About 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine

1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine (PubChem CID 107693440) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine
PubChem CID107693440
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine
SMILESC/C=C/COc1ccc(CC(N)CC)cc1F
InChIInChI=1S/C14H20FNO/c1-3-5-8-17-14-7-6-11(10-13(14)15)9-12(16)4-2/h3,5-7,10,12H,4,8-9,16H2,1-2H3/b5-3+
InChIKeyCSDOUOZTRKJKOG-HWKANZROSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
CID 54929309
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
1-[3-fluoro-4-(trifluoromethoxy)phenyl]butan-2-amine
CID 170889505
methyl 3-[4-(2-aminobutyl)-2-fluorophenoxy]propanoate
CID 107693330
1-[3-fluoro-4-(2-propan-2-ylsulfonylethoxy)phenyl]butan-2-amine
CID 107693431
3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide
CID 107693264
1-[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887693
1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 107693394
1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine (CID 107693440) is 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine is C/C=C/COc1ccc(CC(N)CC)cc1F.
What is the InChIKey of 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine?
The InChIKey is CSDOUOZTRKJKOG-HWKANZROSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-5-8-17-14-7-6-11(10-13(14)15)9-12(16)4-2/h3,5-7,10,12H,4,8-9,16H2,1-2H3/b5-3+.
What are the key properties of 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine?
1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine has a molecular weight of 237.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine is sourced from PubChem (CID 107693440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).