N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline

C14H23NO3 — CID 115918848

IUPACN-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
SMILESCCOCC(C)Nc1cccc(OCCOC)c1
InChIInChI=1S/C14H23NO3/c1-4-17-11-12(2)15-13-6-5-7-14(10-13)18-9-8-16-3/h5-7,10,12,15H,4,8-9,11H2,1-3H3
InChIKeyHAPWGIFCQKAMAZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.55
Rot. Bonds9

About N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline

N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline (PubChem CID 115918848) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
PubChem CID115918848
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
SMILESCCOCC(C)Nc1cccc(OCCOC)c1
InChIInChI=1S/C14H23NO3/c1-4-17-11-12(2)15-13-6-5-7-14(10-13)18-9-8-16-3/h5-7,10,12,15H,4,8-9,11H2,1-3H3
InChIKeyHAPWGIFCQKAMAZ-UHFFFAOYSA-N
XLogP2.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline
CID 115695260
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline
CID 113353765
methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
CID 115918909
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122
N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
CID 60935769
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
N-heptan-2-yl-3-propoxyaniline
CID 43693607
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline (CID 115918848) is N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline is CCOCC(C)Nc1cccc(OCCOC)c1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline?
The InChIKey is HAPWGIFCQKAMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-17-11-12(2)15-13-6-5-7-14(10-13)18-9-8-16-3/h5-7,10,12,15H,4,8-9,11H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline?
N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline has a molecular weight of 253.34 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 115918848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).