2-(2-methylpropoxy)-N-octan-2-ylaniline

C18H31NO — CID 63452971

IUPAC2-(2-methylpropoxy)-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1ccccc1OCC(C)C
InChIInChI=1S/C18H31NO/c1-5-6-7-8-11-16(4)19-17-12-9-10-13-18(17)20-14-15(2)3/h9-10,12-13,15-16,19H,5-8,11,14H2,1-4H3
InChIKeyMBMCVFPEYBFHAA-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.49
Rot. Bonds10

About 2-(2-methylpropoxy)-N-octan-2-ylaniline

2-(2-methylpropoxy)-N-octan-2-ylaniline (PubChem CID 63452971) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-octan-2-ylaniline.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-octan-2-ylaniline
PubChem CID63452971
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(2-methylpropoxy)-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1ccccc1OCC(C)C
InChIInChI=1S/C18H31NO/c1-5-6-7-8-11-16(4)19-17-12-9-10-13-18(17)20-14-15(2)3/h9-10,12-13,15-16,19H,5-8,11,14H2,1-4H3
InChIKeyMBMCVFPEYBFHAA-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.49
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

2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
CID 103389265
3-(2-methylpropoxy)-N-nonan-2-ylaniline
CID 63449490
2-bromo-N-nonan-2-ylaniline
CID 43129843
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
2-(nonan-2-ylamino)benzonitrile
CID 43129839
methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
2-amino-N-[2-(2-methylpropoxy)phenyl]hexanamide
CID 60928386
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
2-(heptan-2-ylamino)benzonitrile
CID 43100327

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-octan-2-ylaniline?
The IUPAC name of 2-(2-methylpropoxy)-N-octan-2-ylaniline (CID 63452971) is 2-(2-methylpropoxy)-N-octan-2-ylaniline.
What is the SMILES notation for 2-(2-methylpropoxy)-N-octan-2-ylaniline?
The canonical SMILES for 2-(2-methylpropoxy)-N-octan-2-ylaniline is CCCCCCC(C)Nc1ccccc1OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)-N-octan-2-ylaniline?
The InChIKey is MBMCVFPEYBFHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-6-7-8-11-16(4)19-17-12-9-10-13-18(17)20-14-15(2)3/h9-10,12-13,15-16,19H,5-8,11,14H2,1-4H3.
What are the key properties of 2-(2-methylpropoxy)-N-octan-2-ylaniline?
2-(2-methylpropoxy)-N-octan-2-ylaniline has a molecular weight of 277.45 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-octan-2-ylaniline is sourced from PubChem (CID 63452971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).