2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde

C18H21NO2 — CID 155065101

IUPAC2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
SMILESCCN(Cc1ccc(CC=O)cc1)c1cccc(OC)c1
InChIInChI=1S/C18H21NO2/c1-3-19(17-5-4-6-18(13-17)21-2)14-16-9-7-15(8-10-16)11-12-20/h4-10,12-13H,3,11,14H2,1-2H3
InChIKeyKUUMKMPNKQSAPK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.46
Rot. Bonds7

About 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde

2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde (PubChem CID 155065101) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
PubChem CID155065101
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
SMILESCCN(Cc1ccc(CC=O)cc1)c1cccc(OC)c1
InChIInChI=1S/C18H21NO2/c1-3-19(17-5-4-6-18(13-17)21-2)14-16-9-7-15(8-10-16)11-12-20/h4-10,12-13H,3,11,14H2,1-2H3
InChIKeyKUUMKMPNKQSAPK-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130
N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 142915296
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915017
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
CID 59708993
3-[3-methoxy-N-[(4-methylphenyl)methyl]anilino]propanoic acid
CID 82317360
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-yloxyphosphane
CID 154681628
3-[benzyl(ethyl)amino]benzaldehyde
CID 84758568
1-(N-ethyl-3-methoxyanilino)-3-sulfonylpropan-2-ol
CID 151238231

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde (CID 155065101) is 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde is CCN(Cc1ccc(CC=O)cc1)c1cccc(OC)c1.
What is the InChIKey of 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde?
The InChIKey is KUUMKMPNKQSAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19(17-5-4-6-18(13-17)21-2)14-16-9-7-15(8-10-16)11-12-20/h4-10,12-13H,3,11,14H2,1-2H3.
What are the key properties of 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde?
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde has a molecular weight of 283.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde is sourced from PubChem (CID 155065101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).