1-[4-(difluoromethyl)phenyl]-N-methylmethanamine

C9H11F2N — CID 84654057

IUPAC1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C9H11F2N/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyPXMPXKYNHMBIOM-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.34
Rot. Bonds3

About 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine

1-[4-(difluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 84654057) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
PubChem CID84654057
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C9H11F2N/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyPXMPXKYNHMBIOM-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
CID 82707188
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 104709064
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 126637013
3-[[4-(difluoromethyl)phenyl]methylamino]pentanenitrile
CID 113328347
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine (CID 84654057) is 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine is CNCc1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is PXMPXKYNHMBIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,9,12H,6H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine?
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 84654057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).