4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol

C15H15F2NO — CID 114331434

IUPAC4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
SMILESOc1ccc(CNCc2cccc(C(F)F)c2)cc1
InChIInChI=1S/C15H15F2NO/c16-15(17)13-3-1-2-12(8-13)10-18-9-11-4-6-14(19)7-5-11/h1-8,15,18-19H,9-10H2
InChIKeyJRDIACCUWPVVDR-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.62
Rot. Bonds5

About 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol

4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol (PubChem CID 114331434) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
PubChem CID114331434
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
SMILESOc1ccc(CNCc2cccc(C(F)F)c2)cc1
InChIInChI=1S/C15H15F2NO/c16-15(17)13-3-1-2-12(8-13)10-18-9-11-4-6-14(19)7-5-11/h1-8,15,18-19H,9-10H2
InChIKeyJRDIACCUWPVVDR-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
CID 115523883
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 115525877
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093162
N-[[3-(difluoromethyl)phenyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 114187455
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 115526569
1-[3-(difluoromethyl)phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 115526058
3-[[(4-chlorophenyl)methylamino]methyl]phenol
CID 28738427
N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine
CID 115526406
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol?
The IUPAC name of 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol (CID 114331434) is 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol?
The canonical SMILES for 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol is Oc1ccc(CNCc2cccc(C(F)F)c2)cc1.
What is the InChIKey of 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol?
The InChIKey is JRDIACCUWPVVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-15(17)13-3-1-2-12(8-13)10-18-9-11-4-6-14(19)7-5-11/h1-8,15,18-19H,9-10H2.
What are the key properties of 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol?
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol has a molecular weight of 263.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 114331434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).