4-[3-(N-ethylanilino)butyl]phenol

C18H23NO — CID 82974928

IUPAC4-[3-(N-ethylanilino)butyl]phenol
SMILESCCN(c1ccccc1)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-3-19(17-7-5-4-6-8-17)15(2)9-10-16-11-13-18(20)14-12-16/h4-8,11-15,20H,3,9-10H2,1-2H3
InChIKeyDSTYHUDVIBHTLG-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.24
Rot. Bonds6

About 4-[3-(N-ethylanilino)butyl]phenol

4-[3-(N-ethylanilino)butyl]phenol (PubChem CID 82974928) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[3-(N-ethylanilino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(N-ethylanilino)butyl]phenol
PubChem CID82974928
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[3-(N-ethylanilino)butyl]phenol
SMILESCCN(c1ccccc1)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-3-19(17-7-5-4-6-8-17)15(2)9-10-16-11-13-18(20)14-12-16/h4-8,11-15,20H,3,9-10H2,1-2H3
InChIKeyDSTYHUDVIBHTLG-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177
4-(3-methylpentyl)phenol
CID 57225129
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
4-(4-methylpentyl)phenol;phenol
CID 174866001
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
4-(3,5-dimethyloctyl)phenol
CID 174906830
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
CID 82981079
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
CID 66183584
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
CID 82981678

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N-ethylanilino)butyl]phenol?
The IUPAC name of 4-[3-(N-ethylanilino)butyl]phenol (CID 82974928) is 4-[3-(N-ethylanilino)butyl]phenol.
What is the SMILES notation for 4-[3-(N-ethylanilino)butyl]phenol?
The canonical SMILES for 4-[3-(N-ethylanilino)butyl]phenol is CCN(c1ccccc1)C(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(N-ethylanilino)butyl]phenol?
The InChIKey is DSTYHUDVIBHTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-19(17-7-5-4-6-8-17)15(2)9-10-16-11-13-18(20)14-12-16/h4-8,11-15,20H,3,9-10H2,1-2H3.
What are the key properties of 4-[3-(N-ethylanilino)butyl]phenol?
4-[3-(N-ethylanilino)butyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N-ethylanilino)butyl]phenol is sourced from PubChem (CID 82974928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).