3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline

C18H23NO2 — CID 60936370

IUPAC3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
SMILESCCOc1cccc(NC(C)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23NO2/c1-4-21-18-7-5-6-16(13-18)19-14(2)12-15-8-10-17(20-3)11-9-15/h5-11,13-14,19H,4,12H2,1-3H3
InChIKeyUTMOTGGPLKZCSB-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.14
Rot. Bonds7

About 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline

3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline (PubChem CID 60936370) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
PubChem CID60936370
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
SMILESCCOc1cccc(NC(C)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23NO2/c1-4-21-18-7-5-6-16(13-18)19-14(2)12-15-8-10-17(20-3)11-9-15/h5-11,13-14,19H,4,12H2,1-3H3
InChIKeyUTMOTGGPLKZCSB-UHFFFAOYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
3-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
CID 68822883
5-N-[1-(4-methoxyphenyl)propan-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690659
3-ethoxy-N-undecan-6-ylaniline
CID 63453491
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline (CID 60936370) is 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline is CCOc1cccc(NC(C)Cc2ccc(OC)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is UTMOTGGPLKZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-21-18-7-5-6-16(13-18)19-14(2)12-15-8-10-17(20-3)11-9-15/h5-11,13-14,19H,4,12H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 60936370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).