1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine

C18H21F2N — CID 43685494

IUPAC1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(NC(c1ccc(F)cc1)C(C)C)c1ccccc1F
InChIInChI=1S/C18H21F2N/c1-12(2)18(14-8-10-15(19)11-9-14)21-13(3)16-6-4-5-7-17(16)20/h4-13,18,21H,1-3H3
InChIKeyQIFXDULROAMUAI-UHFFFAOYSA-N
MW289.37 g/mol
LogP5.01
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine

1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 43685494) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
PubChem CID43685494
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(NC(c1ccc(F)cc1)C(C)C)c1ccccc1F
InChIInChI=1S/C18H21F2N/c1-12(2)18(14-8-10-15(19)11-9-14)21-13(3)16-6-4-5-7-17(16)20/h4-13,18,21H,1-3H3
InChIKeyQIFXDULROAMUAI-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43227005
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268
3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol
CID 43685504
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383104
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine (CID 43685494) is 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine is CC(NC(c1ccc(F)cc1)C(C)C)c1ccccc1F.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is QIFXDULROAMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-12(2)18(14-8-10-15(19)11-9-14)21-13(3)16-6-4-5-7-17(16)20/h4-13,18,21H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine?
1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 43685494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).