3-[1-(N-butylanilino)ethyl]phenol

C18H23NO — CID 82980304

IUPAC3-[1-(N-butylanilino)ethyl]phenol
SMILESCCCCN(c1ccccc1)C(C)c1cccc(O)c1
InChIInChI=1S/C18H23NO/c1-3-4-13-19(17-10-6-5-7-11-17)15(2)16-9-8-12-18(20)14-16/h5-12,14-15,20H,3-4,13H2,1-2H3
InChIKeyGRJJUCAJGZRWTM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.76
Rot. Bonds6

About 3-[1-(N-butylanilino)ethyl]phenol

3-[1-(N-butylanilino)ethyl]phenol (PubChem CID 82980304) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[1-(N-butylanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(N-butylanilino)ethyl]phenol
PubChem CID82980304
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[1-(N-butylanilino)ethyl]phenol
SMILESCCCCN(c1ccccc1)C(C)c1cccc(O)c1
InChIInChI=1S/C18H23NO/c1-3-4-13-19(17-10-6-5-7-11-17)15(2)16-9-8-12-18(20)14-16/h5-12,14-15,20H,3-4,13H2,1-2H3
InChIKeyGRJJUCAJGZRWTM-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butan-2-yl(butyl)amino]phenol
CID 67927782
3-[1-(N-ethyl-3-fluoroanilino)ethyl]phenol
CID 82982597
N,N-dibutylbutan-1-amine;phenol
CID 172785095
3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol
CID 82982466
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-(N-hexadecylanilino)phenol
CID 21083116
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
3-pentadecan-2-ylphenol
CID 57199867
3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol
CID 43192320
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
CID 66857029

Frequently Asked Questions

What is the IUPAC name of 3-[1-(N-butylanilino)ethyl]phenol?
The IUPAC name of 3-[1-(N-butylanilino)ethyl]phenol (CID 82980304) is 3-[1-(N-butylanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(N-butylanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(N-butylanilino)ethyl]phenol is CCCCN(c1ccccc1)C(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(N-butylanilino)ethyl]phenol?
The InChIKey is GRJJUCAJGZRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-13-19(17-10-6-5-7-11-17)15(2)16-9-8-12-18(20)14-16/h5-12,14-15,20H,3-4,13H2,1-2H3.
What are the key properties of 3-[1-(N-butylanilino)ethyl]phenol?
3-[1-(N-butylanilino)ethyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(N-butylanilino)ethyl]phenol is sourced from PubChem (CID 82980304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).