3-butan-2-yloxy-N-nonan-2-ylaniline

C19H33NO — CID 63477987

IUPAC3-butan-2-yloxy-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cccc(OC(C)CC)c1
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-12-16(3)20-18-13-11-14-19(15-18)21-17(4)6-2/h11,13-17,20H,5-10,12H2,1-4H3
InChIKeyKSEGISSRQCVRRG-UHFFFAOYSA-N
MW291.48 g/mol
LogP6.02
Rot. Bonds11

About 3-butan-2-yloxy-N-nonan-2-ylaniline

3-butan-2-yloxy-N-nonan-2-ylaniline (PubChem CID 63477987) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-nonan-2-ylaniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-nonan-2-ylaniline
PubChem CID63477987
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-butan-2-yloxy-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cccc(OC(C)CC)c1
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-12-16(3)20-18-13-11-14-19(15-18)21-17(4)6-2/h11,13-17,20H,5-10,12H2,1-4H3
InChIKeyKSEGISSRQCVRRG-UHFFFAOYSA-N
XLogP6.02
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 ≤ 56.02
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-(2-methylpropoxy)-N-nonan-2-ylaniline
CID 63449490
N-heptan-2-yl-3-propoxyaniline
CID 43693607
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
3-(octan-2-ylamino)phenol
CID 43130083
4-[3-(heptan-2-ylamino)phenoxy]butanenitrile
CID 60942616
3-ethynyl-N-nonan-2-ylaniline
CID 43129671
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911
3-(heptan-2-ylamino)phenol
CID 43207062
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
methyl 3-(3-butan-2-yloxyanilino)-2-methylbutanoate
CID 79398224

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-nonan-2-ylaniline?
The IUPAC name of 3-butan-2-yloxy-N-nonan-2-ylaniline (CID 63477987) is 3-butan-2-yloxy-N-nonan-2-ylaniline.
What is the SMILES notation for 3-butan-2-yloxy-N-nonan-2-ylaniline?
The canonical SMILES for 3-butan-2-yloxy-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1cccc(OC(C)CC)c1.
What is the InChIKey of 3-butan-2-yloxy-N-nonan-2-ylaniline?
The InChIKey is KSEGISSRQCVRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-7-8-9-10-12-16(3)20-18-13-11-14-19(15-18)21-17(4)6-2/h11,13-17,20H,5-10,12H2,1-4H3.
What are the key properties of 3-butan-2-yloxy-N-nonan-2-ylaniline?
3-butan-2-yloxy-N-nonan-2-ylaniline has a molecular weight of 291.48 g/mol, XLogP of 6.02, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-nonan-2-ylaniline is sourced from PubChem (CID 63477987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).