2-butoxy-6-fluoroaniline

C10H14FNO — CID 60790205

IUPAC2-butoxy-6-fluoroaniline
SMILESCCCCOc1cccc(F)c1N
InChIInChI=1S/C10H14FNO/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7,12H2,1H3
InChIKeyJODDWQLCJVJRLU-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.59
Rot. Bonds4

About 2-butoxy-6-fluoroaniline

2-butoxy-6-fluoroaniline (PubChem CID 60790205) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-butoxy-6-fluoroaniline.

Molecular Properties

Compound Name2-butoxy-6-fluoroaniline
PubChem CID60790205
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-butoxy-6-fluoroaniline
SMILESCCCCOc1cccc(F)c1N
InChIInChI=1S/C10H14FNO/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7,12H2,1H3
InChIKeyJODDWQLCJVJRLU-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-butoxy-6-fluorophenyl)-dimethylborane
CID 67978515
1-dodecoxy-2,3-difluorobenzene
CID 15854521
4-(2-butoxy-6-fluorophenyl)imidazol-2-one
CID 174894987
2-amino-3-butoxybenzoic acid
CID 61039870
5-butoxynaphthalen-1-amine
CID 67167958
1,3-dibutoxy-2-methylbenzene
CID 14475066
3-fluoro-2-hexoxyaniline
CID 104831272
butyl 2-amino-3-fluorobenzoate
CID 80502132
2-(2-butoxyethoxy)-6-chloroaniline
CID 104834987
methyl 2-amino-3-butoxybenzoate
CID 61039982
1-butoxy-6,7-difluoronaphthalene
CID 70812007
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-fluoroaniline?
The IUPAC name of 2-butoxy-6-fluoroaniline (CID 60790205) is 2-butoxy-6-fluoroaniline.
What is the SMILES notation for 2-butoxy-6-fluoroaniline?
The canonical SMILES for 2-butoxy-6-fluoroaniline is CCCCOc1cccc(F)c1N.
What is the InChIKey of 2-butoxy-6-fluoroaniline?
The InChIKey is JODDWQLCJVJRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7,12H2,1H3.
What are the key properties of 2-butoxy-6-fluoroaniline?
2-butoxy-6-fluoroaniline has a molecular weight of 183.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-fluoroaniline is sourced from PubChem (CID 60790205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).