3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol

C21H29NO2 — CID 82073791

IUPAC3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCCN(CCC(O)c1ccc(OCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H29NO2/c1-4-22(19-8-6-5-7-9-19)15-14-21(23)18-10-12-20(13-11-18)24-16-17(2)3/h5-13,17,21,23H,4,14-16H2,1-3H3
InChIKeyHDTPYCNRCKPJPS-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.67
Rot. Bonds9

About 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol

3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol (PubChem CID 82073791) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol
PubChem CID82073791
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCCN(CCC(O)c1ccc(OCC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H29NO2/c1-4-22(19-8-6-5-7-9-19)15-14-21(23)18-10-12-20(13-11-18)24-16-17(2)3/h5-13,17,21,23H,4,14-16H2,1-3H3
InChIKeyHDTPYCNRCKPJPS-UHFFFAOYSA-N
XLogP4.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
3-[N-ethyl-4-(2-methylpropoxy)anilino]propanoic acid
CID 82318812
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
CID 82074609
4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
CID 58701260
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline
CID 59671995
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
2,3-dihydroxy-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 170825217
3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
CID 82074064
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180
N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
CID 55026790

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The IUPAC name of 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol (CID 82073791) is 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol is CCN(CCC(O)c1ccc(OCC(C)C)cc1)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The InChIKey is HDTPYCNRCKPJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-22(19-8-6-5-7-9-19)15-14-21(23)18-10-12-20(13-11-18)24-16-17(2)3/h5-13,17,21,23H,4,14-16H2,1-3H3.
What are the key properties of 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol?
3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol has a molecular weight of 327.47 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 82073791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).