1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine

C14H19F2N — CID 123522068

IUPAC1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine
SMILESC=CCNC(CCCC)c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N/c1-3-5-6-14(17-7-4-2)11-8-12(15)10-13(16)9-11/h4,8-10,14,17H,2-3,5-7H2,1H3
InChIKeyUNNSDXHBIJWDQX-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.97
Rot. Bonds7

About 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine

1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine (PubChem CID 123522068) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine
PubChem CID123522068
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine
SMILESC=CCNC(CCCC)c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N/c1-3-5-6-14(17-7-4-2)11-8-12(15)10-13(16)9-11/h4,8-10,14,17H,2-3,5-7H2,1H3
InChIKeyUNNSDXHBIJWDQX-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.97
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

1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79411536
1-(3,5-difluorophenyl)hexylhydrazine
CID 105207948
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 115516524
1-(3-bromo-5-fluorophenyl)-N-ethylnonan-1-amine
CID 66424848
N-ethyl-1-(5-fluoro-3-pyridinyl)hex-5-en-1-amine
CID 105153078
1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
N-prop-2-enylheptan-3-amine
CID 63946261
1-(3,5-difluorophenyl)but-3-enylhydrazine
CID 105207895

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine (CID 123522068) is 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine is C=CCNC(CCCC)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine?
The InChIKey is UNNSDXHBIJWDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-3-5-6-14(17-7-4-2)11-8-12(15)10-13(16)9-11/h4,8-10,14,17H,2-3,5-7H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine?
1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-prop-2-enylpentan-1-amine is sourced from PubChem (CID 123522068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).