1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol

C9H10F3NO — CID 105457010

IUPAC1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol
SMILESCc1cccc(C(O)C(F)(F)F)c1N
InChIInChI=1S/C9H10F3NO/c1-5-3-2-4-6(7(5)13)8(14)9(10,11)12/h2-4,8,14H,13H2,1H3
InChIKeyQMORNISLAXMLER-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.17
Rot. Bonds1

About 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol

1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol (PubChem CID 105457010) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol
PubChem CID105457010
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol
SMILESCc1cccc(C(O)C(F)(F)F)c1N
InChIInChI=1S/C9H10F3NO/c1-5-3-2-4-6(7(5)13)8(14)9(10,11)12/h2-4,8,14H,13H2,1H3
InChIKeyQMORNISLAXMLER-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methylphenyl)-(2-fluorophenyl)methanol
CID 105489339
2-methyl-6-propan-2-ylaniline
CID 162117439
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
(2-amino-3-methylphenyl)-(4-methylphenyl)methanol
CID 105484724
2-[bis(methylsulfanyl)methyl]-6-methylaniline
CID 13465650
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841
1-(2-amino-3-methylphenyl)-1-chloropropan-2-one
CID 130785658
2-amino-6-bromo-3-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 142396301
(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol
CID 91218434
2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol
CID 130846062
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol (CID 105457010) is 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol is Cc1cccc(C(O)C(F)(F)F)c1N.
What is the InChIKey of 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol?
The InChIKey is QMORNISLAXMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5-3-2-4-6(7(5)13)8(14)9(10,11)12/h2-4,8,14H,13H2,1H3.
What are the key properties of 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol?
1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol has a molecular weight of 205.18 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 105457010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).