N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine

C18H21F2N — CID 115523845

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(CNCc1ccc(C(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-18(2,16-6-4-3-5-7-16)13-21-12-14-8-10-15(11-9-14)17(19)20/h3-11,17,21H,12-13H2,1-2H3
InChIKeyAVVNOXKSQJBDFD-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.69
Rot. Bonds6

About N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine

N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 115523845) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID115523845
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(CNCc1ccc(C(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-18(2,16-6-4-3-5-7-16)13-21-12-14-8-10-15(11-9-14)17(19)20/h3-11,17,21H,12-13H2,1-2H3
InChIKeyAVVNOXKSQJBDFD-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-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181
N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 115523400
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 78871095
N-[[4-(difluoromethyl)phenyl]methyl]-2,2-dimethylheptan-1-amine
CID 115524107
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 113350453
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659
5-methyl-4-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103240937

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine (CID 115523845) is N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine is CC(C)(CNCc1ccc(C(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is AVVNOXKSQJBDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-18(2,16-6-4-3-5-7-16)13-21-12-14-8-10-15(11-9-14)17(19)20/h3-11,17,21H,12-13H2,1-2H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine 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 N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 115523845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).