5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine

C18H20FNO — CID 57145586

IUPAC5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
SMILESCC(N)CC=Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H20FNO/c1-14(20)4-2-5-15-8-10-18(11-9-15)21-13-16-6-3-7-17(19)12-16/h2-3,5-12,14H,4,13,20H2,1H3
InChIKeyAEDBWCWWRVWWNO-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.16
Rot. Bonds6

About 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine

5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine (PubChem CID 57145586) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine.

Molecular Properties

Compound Name5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
PubChem CID57145586
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
SMILESCC(N)CC=Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H20FNO/c1-14(20)4-2-5-15-8-10-18(11-9-15)21-13-16-6-3-7-17(19)12-16/h2-3,5-12,14H,4,13,20H2,1H3
InChIKeyAEDBWCWWRVWWNO-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-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
CID 57293388
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine
CID 70594419
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 22476623
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6277779
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
(2S)-1-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propan-1-ol
CID 155791401
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708
(E)-5-phenylpent-4-en-2-amine
CID 55254237

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine?
The IUPAC name of 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine (CID 57145586) is 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine.
What is the SMILES notation for 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine?
The canonical SMILES for 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine is CC(N)CC=Cc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine?
The InChIKey is AEDBWCWWRVWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14(20)4-2-5-15-8-10-18(11-9-15)21-13-16-6-3-7-17(19)12-16/h2-3,5-12,14H,4,13,20H2,1H3.
What are the key properties of 5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine?
5-[4-[(3-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-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine is sourced from PubChem (CID 57145586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).