2-fluoro-N-(1-methoxypropan-2-yl)aniline

C10H14FNO — CID 62535628

IUPAC2-fluoro-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1ccccc1F
InChIInChI=1S/C10H14FNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeyDLCOWQFHXZBBFG-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.27
Rot. Bonds4

About 2-fluoro-N-(1-methoxypropan-2-yl)aniline

2-fluoro-N-(1-methoxypropan-2-yl)aniline (PubChem CID 62535628) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-fluoro-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1-methoxypropan-2-yl)aniline
PubChem CID62535628
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-fluoro-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1ccccc1F
InChIInChI=1S/C10H14FNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeyDLCOWQFHXZBBFG-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)aniline (CID 62535628) is 2-fluoro-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 2-fluoro-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 2-fluoro-N-(1-methoxypropan-2-yl)aniline is COCC(C)Nc1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is DLCOWQFHXZBBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-fluoro-N-(1-methoxypropan-2-yl)aniline?
2-fluoro-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 183.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 62535628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).