(E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine

C13H18FNO — CID 103392189

IUPAC(E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOC/C(=C/c1cccc(F)c1)CCCN
InChIInChI=1S/C13H18FNO/c1-16-10-12(5-3-7-15)8-11-4-2-6-13(14)9-11/h2,4,6,8-9H,3,5,7,10,15H2,1H3/b12-8+
InChIKeyBTVOWDHCGHYVCJ-XYOKQWHBSA-N
MW223.29 g/mol
LogP2.59
Rot. Bonds6

About (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine

(E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine (PubChem CID 103392189) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
PubChem CID103392189
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOC/C(=C/c1cccc(F)c1)CCCN
InChIInChI=1S/C13H18FNO/c1-16-10-12(5-3-7-15)8-11-4-2-6-13(14)9-11/h2,4,6,8-9H,3,5,7,10,15H2,1H3/b12-8+
InChIKeyBTVOWDHCGHYVCJ-XYOKQWHBSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392108
(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine
CID 103392227
ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
CID 641319
4-(methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
[(2Z)-2-benzylideneheptyl] acetate
CID 5371723
2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329580
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enamide
CID 143272339
ethyl (2Z)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate
CID 5388615
1-fluoro-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
CID 165485333
(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
CID 103392193
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
ethyl (E)-2-cyano-3-(3-fluorophenyl)prop-2-enoate
CID 803189

Frequently Asked Questions

What is the IUPAC name of (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine?
The IUPAC name of (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine (CID 103392189) is (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine.
What is the SMILES notation for (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine?
The canonical SMILES for (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine is COC/C(=C/c1cccc(F)c1)CCCN.
What is the InChIKey of (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine?
The InChIKey is BTVOWDHCGHYVCJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-10-12(5-3-7-15)8-11-4-2-6-13(14)9-11/h2,4,6,8-9H,3,5,7,10,15H2,1H3/b12-8+.
What are the key properties of (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine?
(E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine is sourced from PubChem (CID 103392189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).