N-(1-methoxypropan-2-yl)-2-propoxyaniline

C13H21NO2 — CID 62534500

IUPACN-(1-methoxypropan-2-yl)-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)COC
InChIInChI=1S/C13H21NO2/c1-4-9-16-13-8-6-5-7-12(13)14-11(2)10-15-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyFGOXZWMGLCAGNI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.92
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-2-propoxyaniline

N-(1-methoxypropan-2-yl)-2-propoxyaniline (PubChem CID 62534500) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-propoxyaniline.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-propoxyaniline
PubChem CID62534500
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(1-methoxypropan-2-yl)-2-propoxyaniline
SMILESCCCOc1ccccc1NC(C)COC
InChIInChI=1S/C13H21NO2/c1-4-9-16-13-8-6-5-7-12(13)14-11(2)10-15-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyFGOXZWMGLCAGNI-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309
2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540145
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
N-(2-methylbutyl)-2-propoxyaniline
CID 43682211
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
CID 43682215

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-propoxyaniline?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-propoxyaniline (CID 62534500) is N-(1-methoxypropan-2-yl)-2-propoxyaniline.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-propoxyaniline?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-propoxyaniline is CCCOc1ccccc1NC(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-propoxyaniline?
The InChIKey is FGOXZWMGLCAGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-9-16-13-8-6-5-7-12(13)14-11(2)10-15-3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2-propoxyaniline?
N-(1-methoxypropan-2-yl)-2-propoxyaniline has a molecular weight of 223.32 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-propoxyaniline is sourced from PubChem (CID 62534500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).