(2-amino-3-methylphenyl)-(2-fluorophenyl)methanol

C14H14FNO — CID 105489339

IUPAC(2-amino-3-methylphenyl)-(2-fluorophenyl)methanol
SMILESCc1cccc(C(O)c2ccccc2F)c1N
InChIInChI=1S/C14H14FNO/c1-9-5-4-7-11(13(9)16)14(17)10-6-2-3-8-12(10)15/h2-8,14,17H,16H2,1H3
InChIKeyCVBZAGVGSNZWOU-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.80
Rot. Bonds2

About (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol

(2-amino-3-methylphenyl)-(2-fluorophenyl)methanol (PubChem CID 105489339) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(2-fluorophenyl)methanol
PubChem CID105489339
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name(2-amino-3-methylphenyl)-(2-fluorophenyl)methanol
SMILESCc1cccc(C(O)c2ccccc2F)c1N
InChIInChI=1S/C14H14FNO/c1-9-5-4-7-11(13(9)16)14(17)10-6-2-3-8-12(10)15/h2-8,14,17H,16H2,1H3
InChIKeyCVBZAGVGSNZWOU-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.80
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

bis(2-fluorophenyl)methanol
CID 18424663
(2-amino-3-methylphenyl)-(4-methylphenyl)methanol
CID 105484724
(2-amino-3-fluorophenyl)-phenylmethanol
CID 105470844
1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol
CID 105457010
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
2-methyl-6-propan-2-ylaniline
CID 162117439
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
(2-amino-4-fluorophenyl)-(2-methylphenyl)methanol
CID 105489352
(4-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894705
(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol
CID 81158529
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol?
The IUPAC name of (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol (CID 105489339) is (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol?
The canonical SMILES for (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol is Cc1cccc(C(O)c2ccccc2F)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol?
The InChIKey is CVBZAGVGSNZWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-5-4-7-11(13(9)16)14(17)10-6-2-3-8-12(10)15/h2-8,14,17H,16H2,1H3.
What are the key properties of (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol?
(2-amino-3-methylphenyl)-(2-fluorophenyl)methanol has a molecular weight of 231.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 105489339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).