N-(2-methylbutyl)-2-propoxyaniline

C14H23NO — CID 43682211

IUPACN-(2-methylbutyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCC(C)CC
InChIInChI=1S/C14H23NO/c1-4-10-16-14-9-7-6-8-13(14)15-11-12(3)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyXJOSIFYVFFOFMP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.93
Rot. Bonds7

About N-(2-methylbutyl)-2-propoxyaniline

N-(2-methylbutyl)-2-propoxyaniline (PubChem CID 43682211) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-propoxyaniline.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-propoxyaniline
PubChem CID43682211
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2-methylbutyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCC(C)CC
InChIInChI=1S/C14H23NO/c1-4-10-16-14-9-7-6-8-13(14)15-11-12(3)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyXJOSIFYVFFOFMP-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea
CID 111452855
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
4-methyl-N-(2-phenylpropyl)-2-propoxyaniline
CID 63453079
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-propoxyaniline?
The IUPAC name of N-(2-methylbutyl)-2-propoxyaniline (CID 43682211) is N-(2-methylbutyl)-2-propoxyaniline.
What is the SMILES notation for N-(2-methylbutyl)-2-propoxyaniline?
The canonical SMILES for N-(2-methylbutyl)-2-propoxyaniline is CCCOc1ccccc1NCC(C)CC.
What is the InChIKey of N-(2-methylbutyl)-2-propoxyaniline?
The InChIKey is XJOSIFYVFFOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-10-16-14-9-7-6-8-13(14)15-11-12(3)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2-methylbutyl)-2-propoxyaniline?
N-(2-methylbutyl)-2-propoxyaniline has a molecular weight of 221.34 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-propoxyaniline is sourced from PubChem (CID 43682211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).