2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline

C14H23NO3 — CID 103409333

IUPAC2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
SMILESCOCCOCCCNc1cc(C)ccc1OC
InChIInChI=1S/C14H23NO3/c1-12-5-6-14(17-3)13(11-12)15-7-4-8-18-10-9-16-2/h5-6,11,15H,4,7-10H2,1-3H3
InChIKeyFSXOHXJCVSVBJZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.47
Rot. Bonds9

About 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline

2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline (PubChem CID 103409333) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline.

Molecular Properties

Compound Name2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
PubChem CID103409333
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
SMILESCOCCOCCCNc1cc(C)ccc1OC
InChIInChI=1S/C14H23NO3/c1-12-5-6-14(17-3)13(11-12)15-7-4-8-18-10-9-16-2/h5-6,11,15H,4,7-10H2,1-3H3
InChIKeyFSXOHXJCVSVBJZ-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
CID 83961689
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409297
2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096578
2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561339
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79213571
4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409573
4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
CID 51248463
N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline?
The IUPAC name of 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline (CID 103409333) is 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline.
What is the SMILES notation for 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline?
The canonical SMILES for 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline is COCCOCCCNc1cc(C)ccc1OC.
What is the InChIKey of 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline?
The InChIKey is FSXOHXJCVSVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12-5-6-14(17-3)13(11-12)15-7-4-8-18-10-9-16-2/h5-6,11,15H,4,7-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline?
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline has a molecular weight of 253.34 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline is sourced from PubChem (CID 103409333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).