N-cyclopropyl-3-(2-methoxyethoxy)aniline

C12H17NO2 — CID 103439187

IUPACN-cyclopropyl-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NC2CC2)c1
InChIInChI=1S/C12H17NO2/c1-14-7-8-15-12-4-2-3-11(9-12)13-10-5-6-10/h2-4,9-10,13H,5-8H2,1H3
InChIKeyDAGBTSZCDCOVDO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.29
Rot. Bonds6

About N-cyclopropyl-3-(2-methoxyethoxy)aniline

N-cyclopropyl-3-(2-methoxyethoxy)aniline (PubChem CID 103439187) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methoxyethoxy)aniline
PubChem CID103439187
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-cyclopropyl-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NC2CC2)c1
InChIInChI=1S/C12H17NO2/c1-14-7-8-15-12-4-2-3-11(9-12)13-10-5-6-10/h2-4,9-10,13H,5-8H2,1H3
InChIKeyDAGBTSZCDCOVDO-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
CID 79731567
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61309747
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-cyclopropyl-3-(2-methoxyethoxy)aniline (CID 103439187) is N-cyclopropyl-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-cyclopropyl-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-cyclopropyl-3-(2-methoxyethoxy)aniline is COCCOc1cccc(NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(2-methoxyethoxy)aniline?
The InChIKey is DAGBTSZCDCOVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-7-8-15-12-4-2-3-11(9-12)13-10-5-6-10/h2-4,9-10,13H,5-8H2,1H3.
What are the key properties of N-cyclopropyl-3-(2-methoxyethoxy)aniline?
N-cyclopropyl-3-(2-methoxyethoxy)aniline has a molecular weight of 207.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 103439187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).