(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine

C16H17FN2 — CID 12717111

IUPAC(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C16H17FN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+
InChIKeyLLTMMEINZMCSQF-CXUHLZMHSA-N
MW256.32 g/mol
LogP3.21
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine

(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (PubChem CID 12717111) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
PubChem CID12717111
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C16H17FN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+
InChIKeyLLTMMEINZMCSQF-CXUHLZMHSA-N
XLogP3.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 11291351
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride
CID 54592364
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol
CID 170887479
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
(E)-5-(4-fluorophenyl)-5-pyridin-3-ylpent-4-en-1-ol
CID 15087804
N-[(E)-3-(4-bromophenyl)-3-pyridin-3-ylprop-2-enyl]-methoxy-N-methylphosphonamidic acid
CID 58600544
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine
CID 126483479
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
2-[[(4-fluorophenyl)-pyridin-3-ylmethylidene]amino]oxy-N,N-dimethylethanamine;oxalic acid
CID 73449275

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (CID 12717111) is (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is CN(C)C/C=C(\c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The InChIKey is LLTMMEINZMCSQF-CXUHLZMHSA-N. The full InChI is InChI=1S/C16H17FN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+.
What are the key properties of (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine has a molecular weight of 256.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is sourced from PubChem (CID 12717111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).