(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride

C13H19ClFNO — CID 66983444

IUPAC(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
SMILESCC(C)Oc1ccc(C/C(=C/F)CN)cc1.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-10(2)16-13-5-3-11(4-6-13)7-12(8-14)9-15;/h3-6,8,10H,7,9,15H2,1-2H3;1H/b12-8-;
InChIKeyKUDNWRPWSLJNGC-JCTPKUEWSA-N
MW259.75 g/mol
LogP3.25
Rot. Bonds5

About (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride

(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride (PubChem CID 66983444) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
PubChem CID66983444
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
SMILESCC(C)Oc1ccc(C/C(=C/F)CN)cc1.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-10(2)16-13-5-3-11(4-6-13)7-12(8-14)9-15;/h3-6,8,10H,7,9,15H2,1-2H3;1H/b12-8-;
InChIKeyKUDNWRPWSLJNGC-JCTPKUEWSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride (CID 66983444) is (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride is CC(C)Oc1ccc(C/C(=C/F)CN)cc1.Cl.
What is the InChIKey of (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is KUDNWRPWSLJNGC-JCTPKUEWSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c1-10(2)16-13-5-3-11(4-6-13)7-12(8-14)9-15;/h3-6,8,10H,7,9,15H2,1-2H3;1H/b12-8-;.
What are the key properties of (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride?
(Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[(4-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 66983444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).