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

C15H23F2N — CID 62605169

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

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

N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine (PubChem CID 62605169) 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-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine
PubChem CID62605169
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-3-4-5-6-12(2)18-8-7-13-9-14(16)11-15(17)10-13/h9-12,18H,3-8H2,1-2H3
InChIKeyOFXYMTUDDSEALL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 62605165
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
N-[2-(3,5-difluorophenyl)ethyl]heptan-3-amine
CID 63946559
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631
N-[2-(3,5-difluorophenyl)ethyl]pentan-3-amine
CID 62605156
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
N-[(3-fluoro-5-nitrophenyl)methyl]heptan-2-amine
CID 112646705
4-[2-(hexan-2-ylamino)ethyl]aniline
CID 62199328
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
N-propylnonan-2-amine
CID 43129664
N-heptan-2-ylheptan-1-amine
CID 43572726

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine (CID 62605169) is N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine is CCCCCC(C)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine?
The InChIKey is OFXYMTUDDSEALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-4-5-6-12(2)18-8-7-13-9-14(16)11-15(17)10-13/h9-12,18H,3-8H2,1-2H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine?
N-[2-(3,5-difluorophenyl)ethyl]heptan-2-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-2-amine is sourced from PubChem (CID 62605169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).