3-ethoxy-N-undecan-6-ylaniline

C19H33NO — CID 63453491

IUPAC3-ethoxy-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1cccc(OCC)c1
InChIInChI=1S/C19H33NO/c1-4-7-9-12-17(13-10-8-5-2)20-18-14-11-15-19(16-18)21-6-3/h11,14-17,20H,4-10,12-13H2,1-3H3
InChIKeyVRMCARCFACYQOV-UHFFFAOYSA-N
MW291.48 g/mol
LogP6.03
Rot. Bonds12

About 3-ethoxy-N-undecan-6-ylaniline

3-ethoxy-N-undecan-6-ylaniline (PubChem CID 63453491) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-ethoxy-N-undecan-6-ylaniline.

Molecular Properties

Compound Name3-ethoxy-N-undecan-6-ylaniline
PubChem CID63453491
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-ethoxy-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1cccc(OCC)c1
InChIInChI=1S/C19H33NO/c1-4-7-9-12-17(13-10-8-5-2)20-18-14-11-15-19(16-18)21-6-3/h11,14-17,20H,4-10,12-13H2,1-3H3
InChIKeyVRMCARCFACYQOV-UHFFFAOYSA-N
XLogP6.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
N-heptan-2-yl-3-propoxyaniline
CID 43693607
CID 174010582
CID 174010582
3-(2-methylpropoxy)-N-nonan-2-ylaniline
CID 63449490
3-octoxy-N-propan-2-ylaniline
CID 139718157
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
CID 115375894
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
4-[3-(heptan-2-ylamino)phenoxy]butanenitrile
CID 60942616
N-tridecan-6-ylaniline
CID 151143089

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-undecan-6-ylaniline?
The IUPAC name of 3-ethoxy-N-undecan-6-ylaniline (CID 63453491) is 3-ethoxy-N-undecan-6-ylaniline.
What is the SMILES notation for 3-ethoxy-N-undecan-6-ylaniline?
The canonical SMILES for 3-ethoxy-N-undecan-6-ylaniline is CCCCCC(CCCCC)Nc1cccc(OCC)c1.
What is the InChIKey of 3-ethoxy-N-undecan-6-ylaniline?
The InChIKey is VRMCARCFACYQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-7-9-12-17(13-10-8-5-2)20-18-14-11-15-19(16-18)21-6-3/h11,14-17,20H,4-10,12-13H2,1-3H3.
What are the key properties of 3-ethoxy-N-undecan-6-ylaniline?
3-ethoxy-N-undecan-6-ylaniline has a molecular weight of 291.48 g/mol, XLogP of 6.03, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-undecan-6-ylaniline is sourced from PubChem (CID 63453491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).