3-(2-methoxyethoxy)-N-phenylaniline

C15H17NO2 — CID 156904975

IUPAC3-(2-methoxyethoxy)-N-phenylaniline
SMILESCOCCOc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-17-10-11-18-15-9-5-8-14(12-15)16-13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3
InChIKeySMCNQYLTIWQQPN-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.46
Rot. Bonds6

About 3-(2-methoxyethoxy)-N-phenylaniline

3-(2-methoxyethoxy)-N-phenylaniline (PubChem CID 156904975) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-phenylaniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-phenylaniline
PubChem CID156904975
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(2-methoxyethoxy)-N-phenylaniline
SMILESCOCCOc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-17-10-11-18-15-9-5-8-14(12-15)16-13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3
InChIKeySMCNQYLTIWQQPN-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.46
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-phenyl-3-propoxyaniline
CID 71334741
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
3-hexoxy-N-(4-phenylphenyl)aniline
CID 90222153

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-phenylaniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-phenylaniline (CID 156904975) is 3-(2-methoxyethoxy)-N-phenylaniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-phenylaniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-phenylaniline is COCCOc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-phenylaniline?
The InChIKey is SMCNQYLTIWQQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-10-11-18-15-9-5-8-14(12-15)16-13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-N-phenylaniline?
3-(2-methoxyethoxy)-N-phenylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-phenylaniline is sourced from PubChem (CID 156904975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).