1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine

C14H19F2N — CID 105004706

IUPAC1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2N/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyNHHPZMPRYTYZEG-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.45
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine

1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine (PubChem CID 105004706) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
PubChem CID105004706
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2N/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyNHHPZMPRYTYZEG-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine
CID 79189852
1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 79190086
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 79178623
N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine
CID 79190966
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(3,4-difluorophenyl)-N-propylbut-3-en-2-amine
CID 105000995
N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190181
1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115849967
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
2-(3,4-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 82922139

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine (CID 105004706) is 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine is CCNC(C=C(C)C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine?
The InChIKey is NHHPZMPRYTYZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-7,9,12,17H,4,8H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine?
1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine has a molecular weight of 239.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine is sourced from PubChem (CID 105004706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).