N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline

C17H25NO — CID 54864889

IUPACN-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C17H25NO/c1-12(2)11-19-16-6-4-3-5-15(16)18-17(13-7-8-13)14-9-10-14/h3-6,12-14,17-18H,7-11H2,1-2H3
InChIKeyHVAOMKUKAZPRSF-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.32
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline

N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline (PubChem CID 54864889) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
PubChem CID54864889
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C17H25NO/c1-12(2)11-19-16-6-4-3-5-15(16)18-17(13-7-8-13)14-9-10-14/h3-6,12-14,17-18H,7-11H2,1-2H3
InChIKeyHVAOMKUKAZPRSF-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689188
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
CID 103389265
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489
2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881549
N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
CID 80706319
N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 63453182
1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
CID 60934851
N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63453271
2-(2-methylpropoxy)-N-octan-2-ylaniline
CID 63452971
N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 61062351

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline (CID 54864889) is N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline is CC(C)COc1ccccc1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline?
The InChIKey is HVAOMKUKAZPRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)11-19-16-6-4-3-5-15(16)18-17(13-7-8-13)14-9-10-14/h3-6,12-14,17-18H,7-11H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline?
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline has a molecular weight of 259.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 54864889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).