4-(2-cyclopropylethoxymethyl)-3-fluoroaniline

C12H16FNO — CID 106199901

IUPAC4-(2-cyclopropylethoxymethyl)-3-fluoroaniline
SMILESNc1ccc(COCCC2CC2)c(F)c1
InChIInChI=1S/C12H16FNO/c13-12-7-11(14)4-3-10(12)8-15-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyPVFXTLZYNIHOPN-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.72
Rot. Bonds5

About 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline

4-(2-cyclopropylethoxymethyl)-3-fluoroaniline (PubChem CID 106199901) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2-cyclopropylethoxymethyl)-3-fluoroaniline
PubChem CID106199901
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-(2-cyclopropylethoxymethyl)-3-fluoroaniline
SMILESNc1ccc(COCCC2CC2)c(F)c1
InChIInChI=1S/C12H16FNO/c13-12-7-11(14)4-3-10(12)8-15-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyPVFXTLZYNIHOPN-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.72
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

4-(2-cyclopropylethoxymethyl)-3-(trifluoromethyl)aniline
CID 106199866
3-fluoro-4-(3-methoxypropoxymethyl)aniline
CID 64768894
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
CID 106200104
(E)-3-[4-(2-cyclopropylethoxymethyl)-3-fluorophenyl]prop-2-enoic acid
CID 114157756
4-(cyclobutyloxymethyl)-3-fluoroaniline
CID 64768897
2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 114157515
3-(2-cyclopropylethoxymethyl)-4-fluorobenzoic acid
CID 106199330
2-(2-cyclopropylethoxymethyl)-4-fluorobenzonitrile
CID 106201262
2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid
CID 106206460
4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829895
[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine
CID 106200256
3-fluoro-4-(2-pyrrolidin-3-ylethoxymethyl)benzonitrile
CID 114796091

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline?
The IUPAC name of 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline (CID 106199901) is 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline.
What is the SMILES notation for 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline?
The canonical SMILES for 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline is Nc1ccc(COCCC2CC2)c(F)c1.
What is the InChIKey of 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline?
The InChIKey is PVFXTLZYNIHOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-12-7-11(14)4-3-10(12)8-15-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8,14H2.
What are the key properties of 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline?
4-(2-cyclopropylethoxymethyl)-3-fluoroaniline has a molecular weight of 209.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxymethyl)-3-fluoroaniline is sourced from PubChem (CID 106199901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).