3-(2-methylpropoxy)-N-nonan-2-ylaniline

C19H33NO — CID 63449490

IUPAC3-(2-methylpropoxy)-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C19H33NO/c1-5-6-7-8-9-11-17(4)20-18-12-10-13-19(14-18)21-15-16(2)3/h10,12-14,16-17,20H,5-9,11,15H2,1-4H3
InChIKeyBSFNQIFYSOWLHD-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.88
Rot. Bonds11

About 3-(2-methylpropoxy)-N-nonan-2-ylaniline

3-(2-methylpropoxy)-N-nonan-2-ylaniline (PubChem CID 63449490) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-nonan-2-ylaniline.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-nonan-2-ylaniline
PubChem CID63449490
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-(2-methylpropoxy)-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C19H33NO/c1-5-6-7-8-9-11-17(4)20-18-12-10-13-19(14-18)21-15-16(2)3/h10,12-14,16-17,20H,5-9,11,15H2,1-4H3
InChIKeyBSFNQIFYSOWLHD-UHFFFAOYSA-N
XLogP5.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.88
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

N-heptan-2-yl-3-propoxyaniline
CID 43693607
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
3-butan-2-yloxy-N-nonan-2-ylaniline
CID 63477987
4-[3-(heptan-2-ylamino)phenoxy]butanenitrile
CID 60942616
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
3-(2-methylpropoxy)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629546
3-octoxy-N-propan-2-ylaniline
CID 139718157
3-ethoxy-N-undecan-6-ylaniline
CID 63453491
3-(octan-2-ylamino)phenol
CID 43130083
N-(3-methylpentan-2-yl)-3-(2-methylpropoxy)aniline
CID 63449668
2-(2-methylpropoxy)-N-octan-2-ylaniline
CID 63452971

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-nonan-2-ylaniline?
The IUPAC name of 3-(2-methylpropoxy)-N-nonan-2-ylaniline (CID 63449490) is 3-(2-methylpropoxy)-N-nonan-2-ylaniline.
What is the SMILES notation for 3-(2-methylpropoxy)-N-nonan-2-ylaniline?
The canonical SMILES for 3-(2-methylpropoxy)-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-nonan-2-ylaniline?
The InChIKey is BSFNQIFYSOWLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-6-7-8-9-11-17(4)20-18-12-10-13-19(14-18)21-15-16(2)3/h10,12-14,16-17,20H,5-9,11,15H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)-N-nonan-2-ylaniline?
3-(2-methylpropoxy)-N-nonan-2-ylaniline has a molecular weight of 291.48 g/mol, XLogP of 5.88, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-nonan-2-ylaniline is sourced from PubChem (CID 63449490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).