2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine

C14H13F3N2O — CID 63670108

IUPAC2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C14H13F3N2O/c1-20-13-8-11(6-7-12(13)18)19-10-4-2-9(3-5-10)14(15,16)17/h2-8,19H,18H2,1H3
InChIKeyKYDUDUKXWMRQNN-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.04
Rot. Bonds3

About 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine

2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine (PubChem CID 63670108) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
PubChem CID63670108
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine
SMILESCOc1cc(Nc2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C14H13F3N2O/c1-20-13-8-11(6-7-12(13)18)19-10-4-2-9(3-5-10)14(15,16)17/h2-8,19H,18H2,1H3
InChIKeyKYDUDUKXWMRQNN-UHFFFAOYSA-N
XLogP4.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine 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-N-[4-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 63669994
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
4-N-(3-fluoro-4-methoxyphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43380714
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
4-N-(4-fluoro-2-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55234359
4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 66739762
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770557
2-methoxy-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 114187380
4-N-(3-fluoro-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83004506
4-N-(2-methoxy-5-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541980

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine (CID 63670108) is 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine is COc1cc(Nc2ccc(C(F)(F)F)cc2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
The InChIKey is KYDUDUKXWMRQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-20-13-8-11(6-7-12(13)18)19-10-4-2-9(3-5-10)14(15,16)17/h2-8,19H,18H2,1H3.
What are the key properties of 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine?
2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine has a molecular weight of 282.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-[4-(trifluoromethyl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 63670108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).