[methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol

C17H18F3NO2 — CID 59729412

IUPAC[methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
SMILESCON(C)C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C17H18F3NO2/c1-11-10-13(16(22)21(2)23-3)6-9-15(11)12-4-7-14(8-5-12)17(18,19)20/h4-10,16,22H,1-3H3
InChIKeyQZSNRUKUXHSIBN-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.16
Rot. Bonds4

About [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol

[methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol (PubChem CID 59729412) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
PubChem CID59729412
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name[methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
SMILESCON(C)C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C17H18F3NO2/c1-11-10-13(16(22)21(2)23-3)6-9-15(11)12-4-7-14(8-5-12)17(18,19)20/h4-10,16,22H,1-3H3
InChIKeyQZSNRUKUXHSIBN-UHFFFAOYSA-N
XLogP4.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[methoxy(methyl)amino]-[3-(trifluoromethyl)phenyl]methanol
CID 162547672
[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol
CID 123616752
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(1S,2R,3S)-2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propane-1,3-diol
CID 102071267
2-methyl-4-(sulfinoamino)-1-[4-(trifluoromethyl)phenyl]benzene
CID 69027960
2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride
CID 163407566
5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
CID 144704292
4-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoic acid;N-methylmethanamine
CID 142535512
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753

Frequently Asked Questions

What is the IUPAC name of [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol?
The IUPAC name of [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol (CID 59729412) is [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol?
The canonical SMILES for [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol is CON(C)C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1.
What is the InChIKey of [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol?
The InChIKey is QZSNRUKUXHSIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-11-10-13(16(22)21(2)23-3)6-9-15(11)12-4-7-14(8-5-12)17(18,19)20/h4-10,16,22H,1-3H3.
What are the key properties of [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol?
[methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol has a molecular weight of 325.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(methyl)amino]-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 59729412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).