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

C15H21F2N — CID 79607469

IUPAC4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2N/c1-11(2)10-18-8-4-5-12(3)14-9-13(16)6-7-15(14)17/h5-7,9,11,18H,4,8,10H2,1-3H3
InChIKeyNYDAMWJSKYVDJJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.00
Rot. Bonds6

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

4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79607469) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79607469
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2N/c1-11(2)10-18-8-4-5-12(3)14-9-13(16)6-7-15(14)17/h5-7,9,11,18H,4,8,10H2,1-3H3
InChIKeyNYDAMWJSKYVDJJ-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.00
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-propylpent-3-en-1-amine
CID 79598982
4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607295
(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 107514686
4-(3-fluoro-5-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79704136
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630
5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine
CID 79606820
4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 82782510
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine (CID 79607469) is 4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine is CC(=CCCNCC(C)C)c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is NYDAMWJSKYVDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(2)10-18-8-4-5-12(3)14-9-13(16)6-7-15(14)17/h5-7,9,11,18H,4,8,10H2,1-3H3.
What are the key properties of 4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.00, 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-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79607469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).