(Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine

C14H20FN — CID 129084153

IUPAC(Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine
SMILESCCN(CC)C/C=C\c1cc(F)ccc1C
InChIInChI=1S/C14H20FN/c1-4-16(5-2)10-6-7-13-11-14(15)9-8-12(13)3/h6-9,11H,4-5,10H2,1-3H3/b7-6-
InChIKeyRFZYAIWRMOFFPH-SREVYHEPSA-N
MW221.32 g/mol
LogP3.49
Rot. Bonds5

About (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine

(Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine (PubChem CID 129084153) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine
PubChem CID129084153
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine
SMILESCCN(CC)C/C=C\c1cc(F)ccc1C
InChIInChI=1S/C14H20FN/c1-4-16(5-2)10-6-7-13-11-14(15)9-8-12(13)3/h6-9,11H,4-5,10H2,1-3H3/b7-6-
InChIKeyRFZYAIWRMOFFPH-SREVYHEPSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
S-[3-(5-fluoro-2-methylphenyl)prop-2-enyl] ethanethioate
CID 169456711
N-tert-butyl-4-(5-fluoro-2-methylphenyl)but-3-en-1-amine
CID 79598780
2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65063539
2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
4-[(5-fluoro-2-methylphenyl)methylidene]piperidine
CID 105376226
2-but-1-enyl-1-ethyl-4-fluorobenzene
CID 162284345
methyl 3-bromo-6-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylmethyl]-2-hydroxybenzoate
CID 66693503
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
(E)-3-(4-fluorophenyl)-N,N-dipropylprop-2-en-1-amine
CID 164887975
(NE)-N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 56776472
2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene
CID 130531997

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine (CID 129084153) is (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine is CCN(CC)C/C=C\c1cc(F)ccc1C.
What is the InChIKey of (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine?
The InChIKey is RFZYAIWRMOFFPH-SREVYHEPSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-16(5-2)10-6-7-13-11-14(15)9-8-12(13)3/h6-9,11H,4-5,10H2,1-3H3/b7-6-.
What are the key properties of (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine?
(Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyl-3-(5-fluoro-2-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 129084153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).