N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline

C16H17F2N — CID 115523457

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccc(C(F)F)cc2)c1
InChIInChI=1S/C16H17F2N/c1-11-7-12(2)9-15(8-11)19-10-13-3-5-14(6-4-13)16(17)18/h3-9,16,19H,10H2,1-2H3
InChIKeyGQVLFZKXJDWHPT-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.85
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline

N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline (PubChem CID 115523457) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
PubChem CID115523457
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccc(C(F)F)cc2)c1
InChIInChI=1S/C16H17F2N/c1-11-7-12(2)9-15(8-11)19-10-13-3-5-14(6-4-13)16(17)18/h3-9,16,19H,10H2,1-2H3
InChIKeyGQVLFZKXJDWHPT-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-N-[(4-propan-2-ylphenyl)methyl]benzene-1,3-diamine
CID 112647602
2-[4-[(3,5-dimethylanilino)methyl]phenyl]propanoic acid
CID 103235711
N-[[4-(difluoromethyl)phenyl]methyl]-3,4-difluoroaniline
CID 115523440
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
CID 110006750
N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
CID 114217566
4-[[4-(difluoromethyl)phenyl]methylamino]-2-fluorophenol
CID 115524031
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
CID 115523823

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline (CID 115523457) is N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline is Cc1cc(C)cc(NCc2ccc(C(F)F)cc2)c1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline?
The InChIKey is GQVLFZKXJDWHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-7-12(2)9-15(8-11)19-10-13-3-5-14(6-4-13)16(17)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline?
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.85, 4 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]-3,5-dimethylaniline is sourced from PubChem (CID 115523457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).