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

C12H17F2N — CID 115523367

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(C(F)F)cc1
InChIInChI=1S/C12H17F2N/c1-9(2)7-15-8-10-3-5-11(6-4-10)12(13)14/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyIMXPXIJXGDVZTK-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.37
Rot. Bonds5

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

N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 115523367) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID115523367
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(C(F)F)cc1
InChIInChI=1S/C12H17F2N/c1-9(2)7-15-8-10-3-5-11(6-4-10)12(13)14/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyIMXPXIJXGDVZTK-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
CID 113328387
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 114078586
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 115523367) is N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IMXPXIJXGDVZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-9(2)7-15-8-10-3-5-11(6-4-10)12(13)14/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.37, 5 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-methylpropan-1-amine is sourced from PubChem (CID 115523367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).