4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline

C19H26N2O2 — CID 82071732

IUPAC4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline
SMILESCCOc1c(CCCN(C)c2ccccc2)cc(N)cc1OC
InChIInChI=1S/C19H26N2O2/c1-4-23-19-15(13-16(20)14-18(19)22-3)9-8-12-21(2)17-10-6-5-7-11-17/h5-7,10-11,13-14H,4,8-9,12,20H2,1-3H3
InChIKeyBTSHFGFMXASLMY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.75
Rot. Bonds8

About 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline

4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline (PubChem CID 82071732) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline
PubChem CID82071732
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline
SMILESCCOc1c(CCCN(C)c2ccccc2)cc(N)cc1OC
InChIInChI=1S/C19H26N2O2/c1-4-23-19-15(13-16(20)14-18(19)22-3)9-8-12-21(2)17-10-6-5-7-11-17/h5-7,10-11,13-14H,4,8-9,12,20H2,1-3H3
InChIKeyBTSHFGFMXASLMY-UHFFFAOYSA-N
XLogP3.75
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline?
The IUPAC name of 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline (CID 82071732) is 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline.
What is the SMILES notation for 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline?
The canonical SMILES for 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline is CCOc1c(CCCN(C)c2ccccc2)cc(N)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline?
The InChIKey is BTSHFGFMXASLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-23-19-15(13-16(20)14-18(19)22-3)9-8-12-21(2)17-10-6-5-7-11-17/h5-7,10-11,13-14H,4,8-9,12,20H2,1-3H3.
What are the key properties of 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline?
4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline has a molecular weight of 314.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline is sourced from PubChem (CID 82071732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).