N-[(3,5-difluorophenyl)methyl]octan-4-amine

C15H23F2N — CID 106023055

IUPACN-[(3,5-difluorophenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-3-5-7-15(6-4-2)18-11-12-8-13(16)10-14(17)9-12/h8-10,15,18H,3-7,11H2,1-2H3
InChIKeyPLQTWIBRIAWYLH-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.41
Rot. Bonds8

About N-[(3,5-difluorophenyl)methyl]octan-4-amine

N-[(3,5-difluorophenyl)methyl]octan-4-amine (PubChem CID 106023055) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]octan-4-amine
PubChem CID106023055
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[(3,5-difluorophenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-3-5-7-15(6-4-2)18-11-12-8-13(16)10-14(17)9-12/h8-10,15,18H,3-7,11H2,1-2H3
InChIKeyPLQTWIBRIAWYLH-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]octan-4-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]octan-4-amine (CID 106023055) is N-[(3,5-difluorophenyl)methyl]octan-4-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]octan-4-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]octan-4-amine is CCCCC(CCC)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]octan-4-amine?
The InChIKey is PLQTWIBRIAWYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-5-7-15(6-4-2)18-11-12-8-13(16)10-14(17)9-12/h8-10,15,18H,3-7,11H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]octan-4-amine?
N-[(3,5-difluorophenyl)methyl]octan-4-amine has a molecular weight of 255.35 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]octan-4-amine is sourced from PubChem (CID 106023055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).