4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline

C13H18F3NO — CID 116534060

IUPAC4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCOc1ccc(NC(C)CCCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-10(4-3-9-13(14,15)16)17-11-5-7-12(18-2)8-6-11/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyWFQAHWSUGZXPRL-UHFFFAOYSA-N
MW261.29 g/mol
LogP4.23
Rot. Bonds6

About 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline

4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline (PubChem CID 116534060) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
PubChem CID116534060
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCOc1ccc(NC(C)CCCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-10(4-3-9-13(14,15)16)17-11-5-7-12(18-2)8-6-11/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyWFQAHWSUGZXPRL-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534013
4-methylsulfanyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116533990
4-bromo-3-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534966
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
N-(6,6,6-trifluorohexan-2-yl)-1H-indol-5-amine
CID 116534107
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 116534020
4-(1,2,4-triazol-1-yl)-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534569
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
2-N,2-N-diethyl-5-N-(6,6,6-trifluorohexan-2-yl)pyridine-2,5-diamine
CID 116534337

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline?
The IUPAC name of 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline (CID 116534060) is 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline.
What is the SMILES notation for 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline?
The canonical SMILES for 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline is COc1ccc(NC(C)CCCC(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline?
The InChIKey is WFQAHWSUGZXPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-10(4-3-9-13(14,15)16)17-11-5-7-12(18-2)8-6-11/h5-8,10,17H,3-4,9H2,1-2H3.
What are the key properties of 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline?
4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline has a molecular weight of 261.29 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline is sourced from PubChem (CID 116534060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).