2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine

C15H23F2N — CID 79443679

IUPAC2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNCC(c1cc(F)cc(F)c1)C(C)CC
InChIInChI=1S/C15H23F2N/c1-4-6-18-10-15(11(3)5-2)12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,4-6,10H2,1-3H3
InChIKeyRCHKUDPRJGDQRE-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.09
Rot. Bonds7

About 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine

2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 79443679) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID79443679
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNCC(c1cc(F)cc(F)c1)C(C)CC
InChIInChI=1S/C15H23F2N/c1-4-6-18-10-15(11(3)5-2)12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,4-6,10H2,1-3H3
InChIKeyRCHKUDPRJGDQRE-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine (CID 79443679) is 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine is CCCNCC(c1cc(F)cc(F)c1)C(C)CC.
What is the InChIKey of 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is RCHKUDPRJGDQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-6-18-10-15(11(3)5-2)12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,4-6,10H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine?
2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 79443679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).