N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine

C18H21F2N — CID 43110371

IUPACN-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C18H21F2N/c1-13(8-9-15-6-4-3-5-7-15)21-14(2)17-12-16(19)10-11-18(17)20/h3-7,10-14,21H,8-9H2,1-2H3
InChIKeyMKWVTEDOLFDSHI-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.64
Rot. Bonds6

About N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine

N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine (PubChem CID 43110371) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
PubChem CID43110371
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C18H21F2N/c1-13(8-9-15-6-4-3-5-7-15)21-14(2)17-12-16(19)10-11-18(17)20/h3-7,10-14,21H,8-9H2,1-2H3
InChIKeyMKWVTEDOLFDSHI-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82963507
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43769191
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine (CID 43110371) is N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is MKWVTEDOLFDSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-13(8-9-15-6-4-3-5-7-15)21-14(2)17-12-16(19)10-11-18(17)20/h3-7,10-14,21H,8-9H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine?
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 43110371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).