2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline

C11H14FNO2 — CID 63599683

IUPAC2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(OCC2CC2)c(N)cc1F
InChIInChI=1S/C11H14FNO2/c1-14-10-5-11(9(13)4-8(10)12)15-6-7-2-3-7/h4-5,7H,2-3,6,13H2,1H3
InChIKeyGKTGLXMGWBXBNC-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.21
Rot. Bonds4

About 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline

2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline (PubChem CID 63599683) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline
PubChem CID63599683
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(OCC2CC2)c(N)cc1F
InChIInChI=1S/C11H14FNO2/c1-14-10-5-11(9(13)4-8(10)12)15-6-7-2-3-7/h4-5,7H,2-3,6,13H2,1H3
InChIKeyGKTGLXMGWBXBNC-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599846
2-(cyclohexylmethoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 63594077
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
4-(difluoromethoxy)-5-fluoro-2-(oxan-4-ylmethoxy)aniline
CID 63594226
3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
CID 89149885
2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
CID 114340502
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
2,5-difluoro-4-methoxyaniline
CID 45090681
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471
4-[(2-amino-4-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120140
4-(3,3-dimethylbutoxy)-5-fluoro-2-methoxyaniline
CID 107259923
methyl 2-amino-4-fluoro-5-(oxan-4-ylmethoxy)benzoate
CID 62383203

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline (CID 63599683) is 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline is COc1cc(OCC2CC2)c(N)cc1F.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline?
The InChIKey is GKTGLXMGWBXBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-14-10-5-11(9(13)4-8(10)12)15-6-7-2-3-7/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline?
2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline has a molecular weight of 211.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63599683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).