5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine

C18H20FNO — CID 57293388

IUPAC5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
SMILESCC(N)CC=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-14(20)3-2-4-15-7-11-18(12-8-15)21-13-16-5-9-17(19)10-6-16/h2,4-12,14H,3,13,20H2,1H3
InChIKeyVMTQRGBZCYAGRW-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.16
Rot. Bonds6

About 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine

5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine (PubChem CID 57293388) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
PubChem CID57293388
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
SMILESCC(N)CC=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-14(20)3-2-4-15-7-11-18(12-8-15)21-13-16-5-9-17(19)10-6-16/h2,4-12,14H,3,13,20H2,1H3
InChIKeyVMTQRGBZCYAGRW-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine
CID 70594419
5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
CID 57145586
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
CID 169454334
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343953
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 53456323
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170892261
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
(E)-5-phenylpent-4-en-2-amine
CID 55254237
1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
CID 70028075

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine?
The IUPAC name of 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine (CID 57293388) is 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine?
The canonical SMILES for 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine is CC(N)CC=Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine?
The InChIKey is VMTQRGBZCYAGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14(20)3-2-4-15-7-11-18(12-8-15)21-13-16-5-9-17(19)10-6-16/h2,4-12,14H,3,13,20H2,1H3.
What are the key properties of 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine?
5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine has a molecular weight of 285.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine is sourced from PubChem (CID 57293388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).