4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol

C12H14F3NO — CID 117219993

IUPAC4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
SMILESOc1ccc(CNC2CCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-6-8(4-5-11(10)17)7-16-9-2-1-3-9/h4-6,9,16-17H,1-3,7H2
InChIKeyBAWIAPKVPAKQAL-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.05
Rot. Bonds3

About 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol

4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol (PubChem CID 117219993) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
PubChem CID117219993
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
SMILESOc1ccc(CNC2CCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-6-8(4-5-11(10)17)7-16-9-2-1-3-9/h4-6,9,16-17H,1-3,7H2
InChIKeyBAWIAPKVPAKQAL-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(hydroxyamino)methyl]-2-(trifluoromethyl)phenol
CID 117295399
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
5-[(cyclopentylamino)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221551
4-amino-N-[4-[[4-hydroxy-3-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-N-methylbenzenesulfonamide
CID 89231819
4-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]benzene-1,2-diol
CID 43434626
1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63319679
N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 63319851
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
5-[(cyclopentylamino)methyl]-2-methylphenol
CID 117221552
3-[(cyclobutylamino)methyl]phenol
CID 62416890
cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
CID 143080621
N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine
CID 170995014

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol (CID 117219993) is 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol is Oc1ccc(CNC2CCC2)cc1C(F)(F)F.
What is the InChIKey of 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol?
The InChIKey is BAWIAPKVPAKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-6-8(4-5-11(10)17)7-16-9-2-1-3-9/h4-6,9,16-17H,1-3,7H2.
What are the key properties of 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol?
4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol has a molecular weight of 245.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 117219993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).