2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine

C18H21F2N — CID 116788992

IUPAC2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCC(F)(F)c2ccccc2)cc1
InChIInChI=1S/C18H21F2N/c1-14(2)16-10-8-15(9-11-16)12-21-13-18(19,20)17-6-4-3-5-7-17/h3-11,14,21H,12-13H2,1-2H3
InChIKeyMXNZIUJBZWFKPD-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.69
Rot. Bonds6

About 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine

2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 116788992) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID116788992
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCC(F)(F)c2ccccc2)cc1
InChIInChI=1S/C18H21F2N/c1-14(2)16-10-8-15(9-11-16)12-21-13-18(19,20)17-6-4-3-5-7-17/h3-11,14,21H,12-13H2,1-2H3
InChIKeyMXNZIUJBZWFKPD-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104
N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 83108347
2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine
CID 116789196
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845
2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65026294
N-[[3-(chloromethyl)phenyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790548
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
2-ethyl-2-[[(4-propan-2-ylphenyl)methylamino]methyl]butanoic acid
CID 122129128
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 116788992) is 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine is CC(C)c1ccc(CNCC(F)(F)c2ccccc2)cc1.
What is the InChIKey of 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is MXNZIUJBZWFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-14(2)16-10-8-15(9-11-16)12-21-13-18(19,20)17-6-4-3-5-7-17/h3-11,14,21H,12-13H2,1-2H3.
What are the key properties of 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 116788992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).