acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline

C20H29NO3 — CID 143373878

IUPACacetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline
SMILESCC.CC=O.CNc1ccc(Oc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C16H19NO2.C2H4O.C2H6/c1-12(2)18-15-5-4-6-16(11-15)19-14-9-7-13(17-3)8-10-14;1-2-3;1-2/h4-12,17H,1-3H3;2H,1H3;1-2H3
InChIKeyFVGNTXGDDAQAPD-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.54
Rot. Bonds5

About acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline

acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline (PubChem CID 143373878) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline.

Molecular Properties

Compound Nameacetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline
PubChem CID143373878
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Nameacetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline
SMILESCC.CC=O.CNc1ccc(Oc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C16H19NO2.C2H4O.C2H6/c1-12(2)18-15-5-4-6-16(11-15)19-14-9-7-13(17-3)8-10-14;1-2-3;1-2/h4-12,17H,1-3H3;2H,1H3;1-2H3
InChIKeyFVGNTXGDDAQAPD-UHFFFAOYSA-N
XLogP5.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-propan-2-yloxyaniline
CID 18002910
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027164
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide
CID 143184323
2-(methylamino)-5-propan-2-yloxybenzaldehyde
CID 121219252
methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate
CID 1381394
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
2-chloro-4-[4-(methylamino)phenoxy]benzamide
CID 62945399
2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
CID 105467397
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline?
The IUPAC name of acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline (CID 143373878) is acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline.
What is the SMILES notation for acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline?
The canonical SMILES for acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline is CC.CC=O.CNc1ccc(Oc2cccc(OC(C)C)c2)cc1.
What is the InChIKey of acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline?
The InChIKey is FVGNTXGDDAQAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C2H4O.C2H6/c1-12(2)18-15-5-4-6-16(11-15)19-14-9-7-13(17-3)8-10-14;1-2-3;1-2/h4-12,17H,1-3H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline?
acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline has a molecular weight of 331.46 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;N-methyl-4-(3-propan-2-yloxyphenoxy)aniline is sourced from PubChem (CID 143373878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).