(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine

C13H14FN — CID 122385228

IUPAC(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)C/C=C/c1cccc(F)c1
InChIInChI=1S/C13H14FN/c1-3-9-15(2)10-5-7-12-6-4-8-13(14)11-12/h1,4-8,11H,9-10H2,2H3/b7-5+
InChIKeyNGGUJZIRCVCGHP-FNORWQNLSA-N
MW203.26 g/mol
LogP2.40
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine

(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine (PubChem CID 122385228) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
PubChem CID122385228
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)C/C=C/c1cccc(F)c1
InChIInChI=1S/C13H14FN/c1-3-9-15(2)10-5-7-12-6-4-8-13(14)11-12/h1,4-8,11H,9-10H2,2H3/b7-5+
InChIKeyNGGUJZIRCVCGHP-FNORWQNLSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 122385230
1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
CID 174834493
1-fluoro-3-[(Z)-3-isocyanatoprop-1-enyl]benzene
CID 117268014
1-[(E)-4,4-dimethoxybut-1-enyl]-3-fluorobenzene
CID 71465696
10-(3-fluorophenyl)dec-9-enoic acid
CID 66874108
5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 70124830
tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
CID 170489856
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-methylamino]propanoic acid
CID 60989553
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 84554353

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine (CID 122385228) is (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine is C#CCN(C)C/C=C/c1cccc(F)c1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
The InChIKey is NGGUJZIRCVCGHP-FNORWQNLSA-N. The full InChI is InChI=1S/C13H14FN/c1-3-9-15(2)10-5-7-12-6-4-8-13(14)11-12/h1,4-8,11H,9-10H2,2H3/b7-5+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine?
(E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine has a molecular weight of 203.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine is sourced from PubChem (CID 122385228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).