(Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine

C12H17FN2 — CID 143795852

IUPAC(Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine
SMILESCC/C(C)=C(\N)CNc1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c1-3-9(2)12(14)8-15-11-6-4-10(13)5-7-11/h4-7,15H,3,8,14H2,1-2H3/b12-9-
InChIKeyFMPMELAHSYTHMR-XFXZXTDPSA-N
MW208.28 g/mol
LogP2.88
Rot. Bonds4

About (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine

(Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine (PubChem CID 143795852) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine
PubChem CID143795852
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine
SMILESCC/C(C)=C(\N)CNc1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c1-3-9(2)12(14)8-15-11-6-4-10(13)5-7-11/h4-7,15H,3,8,14H2,1-2H3/b12-9-
InChIKeyFMPMELAHSYTHMR-XFXZXTDPSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine (CID 143795852) is (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine is CC/C(C)=C(\N)CNc1ccc(F)cc1.
What is the InChIKey of (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine?
The InChIKey is FMPMELAHSYTHMR-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H17FN2/c1-3-9(2)12(14)8-15-11-6-4-10(13)5-7-11/h4-7,15H,3,8,14H2,1-2H3/b12-9-.
What are the key properties of (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine?
(Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine has a molecular weight of 208.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(4-fluorophenyl)-3-methylpent-2-ene-1,2-diamine is sourced from PubChem (CID 143795852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).