N-[(2,6-difluorophenyl)methyl]octan-4-amine

C15H23F2N — CID 106023231

IUPACN-[(2,6-difluorophenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1c(F)cccc1F
InChIInChI=1S/C15H23F2N/c1-3-5-8-12(7-4-2)18-11-13-14(16)9-6-10-15(13)17/h6,9-10,12,18H,3-5,7-8,11H2,1-2H3
InChIKeySIFIWLWHHAFIMZ-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.41
Rot. Bonds8

About N-[(2,6-difluorophenyl)methyl]octan-4-amine

N-[(2,6-difluorophenyl)methyl]octan-4-amine (PubChem CID 106023231) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]octan-4-amine
PubChem CID106023231
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[(2,6-difluorophenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1c(F)cccc1F
InChIInChI=1S/C15H23F2N/c1-3-5-8-12(7-4-2)18-11-13-14(16)9-6-10-15(13)17/h6,9-10,12,18H,3-5,7-8,11H2,1-2H3
InChIKeySIFIWLWHHAFIMZ-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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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
1-bromo-N-[(2,6-difluorophenyl)methyl]pentan-3-amine
CID 114934223
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
N-[(3,5-difluorophenyl)methyl]octan-4-amine
CID 106023055
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
1-(2,6-difluorophenyl)-N-methyloctan-2-amine
CID 114753002
N-[(2-bromo-4-fluorophenyl)methyl]octan-4-amine
CID 106023088
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
N-[(6-methoxy-2-pyridinyl)methyl]octan-4-amine
CID 103781524

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]octan-4-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]octan-4-amine (CID 106023231) is N-[(2,6-difluorophenyl)methyl]octan-4-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]octan-4-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]octan-4-amine is CCCCC(CCC)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]octan-4-amine?
The InChIKey is SIFIWLWHHAFIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-5-8-12(7-4-2)18-11-13-14(16)9-6-10-15(13)17/h6,9-10,12,18H,3-5,7-8,11H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]octan-4-amine?
N-[(2,6-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-[(2,6-difluorophenyl)methyl]octan-4-amine is sourced from PubChem (CID 106023231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).