4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide

C19H25F3N4O3 — CID 144659591

IUPAC4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide
SMILESCCc1cccc(N(C)N)c1COc1ccc(O)cc1C(F)(F)F.CN(N)C=O
InChIInChI=1S/C17H19F3N2O2.C2H6N2O/c1-3-11-5-4-6-15(22(2)21)13(11)10-24-16-8-7-12(23)9-14(16)17(18,19)20;1-4(3)2-5/h4-9,23H,3,10,21H2,1-2H3;2H,3H2,1H3
InChIKeySFZKLHOGPCOLFF-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.81
Rot. Bonds6

About 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide

4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide (PubChem CID 144659591) has the molecular formula C19H25F3N4O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide.

Molecular Properties

Compound Name4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide
PubChem CID144659591
Molecular FormulaC19H25F3N4O3
Molecular Weight414.43 g/mol
Exact Mass414.19
IUPAC Name4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide
SMILESCCc1cccc(N(C)N)c1COc1ccc(O)cc1C(F)(F)F.CN(N)C=O
InChIInChI=1S/C17H19F3N2O2.C2H6N2O/c1-3-11-5-4-6-15(22(2)21)13(11)10-24-16-8-7-12(23)9-14(16)17(18,19)20;1-4(3)2-5/h4-9,23H,3,10,21H2,1-2H3;2H,3H2,1H3
InChIKeySFZKLHOGPCOLFF-UHFFFAOYSA-N
XLogP2.81
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-ethyl-2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144773168
1-[3-ethyl-2-[[4-hydroxy-2-(trifluoromethyl)phenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 90262127
4-[[2-[amino(methyl)amino]-6-(trifluoromethoxy)phenyl]methoxy]-3-bromophenol
CID 129144445
4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
CID 129110158
methyl N-[3-ethyl-2-[[4-ethyl-5-methyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-hydroxycarbamate
CID 126587848
N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol
CID 144659615
N-amino-N-methylformamide;1-(2-ethyl-3-methylphenyl)-1-methylhydrazine
CID 144780729
1,3-diamino-1-[3-(difluoromethyl)-2-[(2-ethyl-4-hydroxyphenoxy)methyl]phenyl]-3-methylurea
CID 144659566
1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine
CID 129109901
4-[[2-[amino(methyl)amino]-6-(difluoromethyl)phenyl]methoxy]-3-cyclopropylphenol
CID 129110010
propan-2-yl 3-ethyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]benzoate
CID 121367607
methyl N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-hydroxycarbamate
CID 126587815

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide?
The IUPAC name of 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide (CID 144659591) is 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide.
What is the SMILES notation for 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide?
The canonical SMILES for 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide is CCc1cccc(N(C)N)c1COc1ccc(O)cc1C(F)(F)F.CN(N)C=O.
What is the InChIKey of 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide?
The InChIKey is SFZKLHOGPCOLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2.C2H6N2O/c1-3-11-5-4-6-15(22(2)21)13(11)10-24-16-8-7-12(23)9-14(16)17(18,19)20;1-4(3)2-5/h4-9,23H,3,10,21H2,1-2H3;2H,3H2,1H3.
What are the key properties of 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide?
4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide has a molecular weight of 414.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[amino(methyl)amino]-6-ethylphenyl]methoxy]-3-(trifluoromethyl)phenol;N-amino-N-methylformamide is sourced from PubChem (CID 144659591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).