N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine

C15H23F2N — CID 62604631

IUPACN-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-3-5-15(6-4-2)18-8-7-12-9-13(16)11-14(17)10-12/h9-11,15,18H,3-8H2,1-2H3
InChIKeyAWSBLIDAYNZNCG-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.07
Rot. Bonds8

About N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine

N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine (PubChem CID 62604631) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
PubChem CID62604631
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-3-5-15(6-4-2)18-8-7-12-9-13(16)11-14(17)10-12/h9-11,15,18H,3-8H2,1-2H3
InChIKeyAWSBLIDAYNZNCG-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
CID 62605156
N-[2-(3,5-difluorophenyl)ethyl]heptan-3-amine
CID 63946559
1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
CID 105409696
N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine
CID 62605169
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
N-[(3,5-difluorophenyl)methyl]octan-4-amine
CID 106023055
N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 62605165
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
N-(2-phenylethyl)octan-4-amine
CID 11128217
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine
CID 106882504
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine (CID 62604631) is N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine is CCCC(CCC)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine?
The InChIKey is AWSBLIDAYNZNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-5-15(6-4-2)18-8-7-12-9-13(16)11-14(17)10-12/h9-11,15,18H,3-8H2,1-2H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine?
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine has a molecular weight of 255.35 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine is sourced from PubChem (CID 62604631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).