3-[1-(4-butylanilino)ethyl]phenol

C18H23NO — CID 43110475

IUPAC3-[1-(4-butylanilino)ethyl]phenol
SMILESCCCCc1ccc(NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-4-6-15-9-11-17(12-10-15)19-14(2)16-7-5-8-18(20)13-16/h5,7-14,19-20H,3-4,6H2,1-2H3
InChIKeyMWQARIOOJOECRS-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.91
Rot. Bonds6

About 3-[1-(4-butylanilino)ethyl]phenol

3-[1-(4-butylanilino)ethyl]phenol (PubChem CID 43110475) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[1-(4-butylanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(4-butylanilino)ethyl]phenol
PubChem CID43110475
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[1-(4-butylanilino)ethyl]phenol
SMILESCCCCc1ccc(NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-4-6-15-9-11-17(12-10-15)19-14(2)16-7-5-8-18(20)13-16/h5,7-14,19-20H,3-4,6H2,1-2H3
InChIKeyMWQARIOOJOECRS-UHFFFAOYSA-N
XLogP4.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
CID 43093915
2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714113
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
N-(1-phenylethyl)-4-propylaniline
CID 43078217
2-[1-(4-butylanilino)ethyl]-4-methylphenol
CID 43504758
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
CID 43097085
1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea
CID 43744418
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43119123
2-[1-(4-propylanilino)ethyl]benzene-1,3-diol
CID 107710477
2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-butylanilino)ethyl]phenol?
The IUPAC name of 3-[1-(4-butylanilino)ethyl]phenol (CID 43110475) is 3-[1-(4-butylanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(4-butylanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(4-butylanilino)ethyl]phenol is CCCCc1ccc(NC(C)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[1-(4-butylanilino)ethyl]phenol?
The InChIKey is MWQARIOOJOECRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-6-15-9-11-17(12-10-15)19-14(2)16-7-5-8-18(20)13-16/h5,7-14,19-20H,3-4,6H2,1-2H3.
What are the key properties of 3-[1-(4-butylanilino)ethyl]phenol?
3-[1-(4-butylanilino)ethyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-butylanilino)ethyl]phenol is sourced from PubChem (CID 43110475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).