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

C13H18FNO — CID 103392108

IUPAC(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOC/C(=C/c1ccc(F)cc1)CCCN
InChIInChI=1S/C13H18FNO/c1-16-10-12(3-2-8-15)9-11-4-6-13(14)7-5-11/h4-7,9H,2-3,8,10,15H2,1H3/b12-9+
InChIKeyYZGNRDIGPWTMBR-FMIVXFBMSA-N
MW223.29 g/mol
LogP2.59
Rot. Bonds6

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

(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine (PubChem CID 103392108) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
PubChem CID103392108
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOC/C(=C/c1ccc(F)cc1)CCCN
InChIInChI=1S/C13H18FNO/c1-16-10-12(3-2-8-15)9-11-4-6-13(14)7-5-11/h4-7,9H,2-3,8,10,15H2,1H3/b12-9+
InChIKeyYZGNRDIGPWTMBR-FMIVXFBMSA-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-(3-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392189
(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine
CID 103392227
4-(methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
CID 103392193
[(2Z)-2-benzylideneheptyl] acetate
CID 5371723
(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine
CID 115025339
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
CID 119343022
4-(methoxymethyl)non-4-en-8-yn-1-amine
CID 103392158
methyl (2E)-2-[(4-fluorophenyl)methylidene]-3-oxopentanoate
CID 15924232
3-[(E)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
CID 58685118
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine?
The IUPAC name of (E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine (CID 103392108) is (E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine.
What is the SMILES notation for (E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine?
The canonical SMILES for (E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine is COC/C(=C/c1ccc(F)cc1)CCCN.
What is the InChIKey of (E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine?
The InChIKey is YZGNRDIGPWTMBR-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-10-12(3-2-8-15)9-11-4-6-13(14)7-5-11/h4-7,9H,2-3,8,10,15H2,1H3/b12-9+.
What are the key properties of (E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine?
(E)-5-(4-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-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine is sourced from PubChem (CID 103392108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).