4-[3-(2-phenylethylamino)butyl]phenol

C18H23NO — CID 2846514

IUPAC4-[3-(2-phenylethylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCc1ccccc1
InChIInChI=1S/C18H23NO/c1-15(7-8-17-9-11-18(20)12-10-17)19-14-13-16-5-3-2-4-6-16/h2-6,9-12,15,19-20H,7-8,13-14H2,1H3
InChIKeyWEAKRFXMTSDHLY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.55
Rot. Bonds7

About 4-[3-(2-phenylethylamino)butyl]phenol

4-[3-(2-phenylethylamino)butyl]phenol (PubChem CID 2846514) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[3-(2-phenylethylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(2-phenylethylamino)butyl]phenol
PubChem CID2846514
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[3-(2-phenylethylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCc1ccccc1
InChIInChI=1S/C18H23NO/c1-15(7-8-17-9-11-18(20)12-10-17)19-14-13-16-5-3-2-4-6-16/h2-6,9-12,15,19-20H,7-8,13-14H2,1H3
InChIKeyWEAKRFXMTSDHLY-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenylethylamino)butyl]phenol?
The IUPAC name of 4-[3-(2-phenylethylamino)butyl]phenol (CID 2846514) is 4-[3-(2-phenylethylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(2-phenylethylamino)butyl]phenol?
The canonical SMILES for 4-[3-(2-phenylethylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NCCc1ccccc1.
What is the InChIKey of 4-[3-(2-phenylethylamino)butyl]phenol?
The InChIKey is WEAKRFXMTSDHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(7-8-17-9-11-18(20)12-10-17)19-14-13-16-5-3-2-4-6-16/h2-6,9-12,15,19-20H,7-8,13-14H2,1H3.
What are the key properties of 4-[3-(2-phenylethylamino)butyl]phenol?
4-[3-(2-phenylethylamino)butyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenylethylamino)butyl]phenol is sourced from PubChem (CID 2846514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).