N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline

C16H27NO2 — CID 83961524

IUPACN-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline
SMILESCC(C)CNc1ccc(OC(C)C)c(OC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-11(2)10-17-14-7-8-15(18-12(3)4)16(9-14)19-13(5)6/h7-9,11-13,17H,10H2,1-6H3
InChIKeyCQZLQKRDIJRRJA-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.33
Rot. Bonds7

About N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline

N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline (PubChem CID 83961524) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline
PubChem CID83961524
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline
SMILESCC(C)CNc1ccc(OC(C)C)c(OC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-11(2)10-17-14-7-8-15(18-12(3)4)16(9-14)19-13(5)6/h7-9,11-13,17H,10H2,1-6H3
InChIKeyCQZLQKRDIJRRJA-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylphenyl)methyl]-3,4-di(propan-2-yloxy)aniline
CID 83961533
N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline
CID 83961518
1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
CID 107151111
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
3-chloro-N-(3-methoxy-2-methylpropyl)-4-propan-2-yloxyaniline
CID 116501045
methyl 2-methoxy-4-(2-methylpropylamino)benzoate
CID 83295320
3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline
CID 83952039
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
2-N,2-N-dimethyl-1-N-(4-nitro-3-propan-2-yloxyphenyl)propane-1,2-diamine
CID 83012694
3-(difluoromethoxy)-4-methoxy-N-(2-methylbutyl)aniline
CID 43731307

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline?
The IUPAC name of N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline (CID 83961524) is N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline.
What is the SMILES notation for N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline?
The canonical SMILES for N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline is CC(C)CNc1ccc(OC(C)C)c(OC(C)C)c1.
What is the InChIKey of N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline?
The InChIKey is CQZLQKRDIJRRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)10-17-14-7-8-15(18-12(3)4)16(9-14)19-13(5)6/h7-9,11-13,17H,10H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline?
N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline has a molecular weight of 265.40 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline is sourced from PubChem (CID 83961524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).