2-[2-(cyclopropylmethoxy)ethoxy]aniline

C12H17NO2 — CID 43366102

IUPAC2-[2-(cyclopropylmethoxy)ethoxy]aniline
SMILESNc1ccccc1OCCOCC1CC1
InChIInChI=1S/C12H17NO2/c13-11-3-1-2-4-12(11)15-8-7-14-9-10-5-6-10/h1-4,10H,5-9,13H2
InChIKeyDNTAMZGYGLVQRO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-(cyclopropylmethoxy)ethoxy]aniline

2-[2-(cyclopropylmethoxy)ethoxy]aniline (PubChem CID 43366102) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)ethoxy]aniline
PubChem CID43366102
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-(cyclopropylmethoxy)ethoxy]aniline
SMILESNc1ccccc1OCCOCC1CC1
InChIInChI=1S/C12H17NO2/c13-11-3-1-2-4-12(11)15-8-7-14-9-10-5-6-10/h1-4,10H,5-9,13H2
InChIKeyDNTAMZGYGLVQRO-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.07
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'}

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Related Compounds

2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106930461
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine
CID 62383531
2-(2-cyclobutyloxyethoxy)aniline
CID 62116635
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
CID 62382373
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
2-[(1,1-dioxothietan-3-yl)methoxy]aniline
CID 84691273
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)ethoxy]aniline?
The IUPAC name of 2-[2-(cyclopropylmethoxy)ethoxy]aniline (CID 43366102) is 2-[2-(cyclopropylmethoxy)ethoxy]aniline.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)ethoxy]aniline?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)ethoxy]aniline is Nc1ccccc1OCCOCC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)ethoxy]aniline?
The InChIKey is DNTAMZGYGLVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-11-3-1-2-4-12(11)15-8-7-14-9-10-5-6-10/h1-4,10H,5-9,13H2.
What are the key properties of 2-[2-(cyclopropylmethoxy)ethoxy]aniline?
2-[2-(cyclopropylmethoxy)ethoxy]aniline has a molecular weight of 207.27 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)ethoxy]aniline is sourced from PubChem (CID 43366102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).