3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol

C10H14F2N2O — CID 106167522

IUPAC3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol
SMILESCc1cc(N)ccc1NCC(F)(F)CO
InChIInChI=1S/C10H14F2N2O/c1-7-4-8(13)2-3-9(7)14-5-10(11,12)6-15/h2-4,14-15H,5-6,13H2,1H3
InChIKeyJAWHHIMBKMJFED-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.62
Rot. Bonds4

About 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol

3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol (PubChem CID 106167522) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol
PubChem CID106167522
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol
SMILESCc1cc(N)ccc1NCC(F)(F)CO
InChIInChI=1S/C10H14F2N2O/c1-7-4-8(13)2-3-9(7)14-5-10(11,12)6-15/h2-4,14-15H,5-6,13H2,1H3
InChIKeyJAWHHIMBKMJFED-UHFFFAOYSA-N
XLogP1.62
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol (CID 106167522) is 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol is Cc1cc(N)ccc1NCC(F)(F)CO.
What is the InChIKey of 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol?
The InChIKey is JAWHHIMBKMJFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-7-4-8(13)2-3-9(7)14-5-10(11,12)6-15/h2-4,14-15H,5-6,13H2,1H3.
What are the key properties of 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol?
3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol has a molecular weight of 216.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106167522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).