3-(cyclopropylmethoxymethoxy)aniline

C11H15NO2 — CID 106928946

IUPAC3-(cyclopropylmethoxymethoxy)aniline
SMILESNc1cccc(OCOCC2CC2)c1
InChIInChI=1S/C11H15NO2/c12-10-2-1-3-11(6-10)14-8-13-7-9-4-5-9/h1-3,6,9H,4-5,7-8,12H2
InChIKeyVAFSQUDDANXDPT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.03
Rot. Bonds5

About 3-(cyclopropylmethoxymethoxy)aniline

3-(cyclopropylmethoxymethoxy)aniline (PubChem CID 106928946) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethoxy)aniline.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethoxy)aniline
PubChem CID106928946
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(cyclopropylmethoxymethoxy)aniline
SMILESNc1cccc(OCOCC2CC2)c1
InChIInChI=1S/C11H15NO2/c12-10-2-1-3-11(6-10)14-8-13-7-9-4-5-9/h1-3,6,9H,4-5,7-8,12H2
InChIKeyVAFSQUDDANXDPT-UHFFFAOYSA-N
XLogP2.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine
CID 106930535
[3-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929767
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329
3-(piperidin-4-ylmethoxy)aniline
CID 89233329
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
3-[[(1S,2S)-2-methylcyclobutyl]methoxy]aniline
CID 124855379
[4-(phenoxymethoxymethyl)cyclohexyl]methyl benzoate
CID 20596857
3-[[(1S,2S)-2-methylcyclopropyl]methoxy]aniline
CID 97034249

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethoxy)aniline?
The IUPAC name of 3-(cyclopropylmethoxymethoxy)aniline (CID 106928946) is 3-(cyclopropylmethoxymethoxy)aniline.
What is the SMILES notation for 3-(cyclopropylmethoxymethoxy)aniline?
The canonical SMILES for 3-(cyclopropylmethoxymethoxy)aniline is Nc1cccc(OCOCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxymethoxy)aniline?
The InChIKey is VAFSQUDDANXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-10-2-1-3-11(6-10)14-8-13-7-9-4-5-9/h1-3,6,9H,4-5,7-8,12H2.
What are the key properties of 3-(cyclopropylmethoxymethoxy)aniline?
3-(cyclopropylmethoxymethoxy)aniline has a molecular weight of 193.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethoxy)aniline is sourced from PubChem (CID 106928946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).