4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine

C14H19F2N — CID 79598982

IUPAC4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2N/c1-3-8-17-9-4-5-11(2)13-10-12(15)6-7-14(13)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyWBHDFZDYWOBJBC-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.76
Rot. Bonds6

About 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine

4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine (PubChem CID 79598982) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
PubChem CID79598982
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2N/c1-3-8-17-9-4-5-11(2)13-10-12(15)6-7-14(13)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyWBHDFZDYWOBJBC-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607469
(Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 106943837
(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 82782510
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
5-methyl-3-[5-(propylamino)pent-2-en-2-yl]pyridin-2-amine
CID 79598084
(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 114013103
(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine
CID 82782276
(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 102621727
5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79591063

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine (CID 79598982) is 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine is CCCNCCC=C(C)c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine?
The InChIKey is WBHDFZDYWOBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-3-8-17-9-4-5-11(2)13-10-12(15)6-7-14(13)16/h5-7,10,17H,3-4,8-9H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine?
4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79598982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).