2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline

C10H14F2N2 — CID 117047226

IUPAC2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline
SMILESCC(C)(CN)c1c(N)ccc(F)c1F
InChIInChI=1S/C10H14F2N2/c1-10(2,5-13)8-7(14)4-3-6(11)9(8)12/h3-4H,5,13-14H2,1-2H3
InChIKeyNXMLFVNZAYTMSW-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.78
Rot. Bonds2

About 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline

2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline (PubChem CID 117047226) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline
PubChem CID117047226
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline
SMILESCC(C)(CN)c1c(N)ccc(F)c1F
InChIInChI=1S/C10H14F2N2/c1-10(2,5-13)8-7(14)4-3-6(11)9(8)12/h3-4H,5,13-14H2,1-2H3
InChIKeyNXMLFVNZAYTMSW-UHFFFAOYSA-N
XLogP1.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline (CID 117047226) is 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline is CC(C)(CN)c1c(N)ccc(F)c1F.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline?
The InChIKey is NXMLFVNZAYTMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-10(2,5-13)8-7(14)4-3-6(11)9(8)12/h3-4H,5,13-14H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline?
2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline has a molecular weight of 200.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline is sourced from PubChem (CID 117047226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).