3-[1-(2-phenylethylamino)ethyl]phenol

C16H19NO — CID 43194109

IUPAC3-[1-(2-phenylethylamino)ethyl]phenol
SMILESCC(NCCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H19NO/c1-13(15-8-5-9-16(18)12-15)17-11-10-14-6-3-2-4-7-14/h2-9,12-13,17-18H,10-11H2,1H3
InChIKeyWPBQBTJVHJGCKH-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.29
Rot. Bonds5

About 3-[1-(2-phenylethylamino)ethyl]phenol

3-[1-(2-phenylethylamino)ethyl]phenol (PubChem CID 43194109) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[1-(2-phenylethylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2-phenylethylamino)ethyl]phenol
PubChem CID43194109
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-[1-(2-phenylethylamino)ethyl]phenol
SMILESCC(NCCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H19NO/c1-13(15-8-5-9-16(18)12-15)17-11-10-14-6-3-2-4-7-14/h2-9,12-13,17-18H,10-11H2,1H3
InChIKeyWPBQBTJVHJGCKH-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
CID 43178590
3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol
CID 43192320
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
CID 114183269
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 99842719
(1R)-N-[2-[4-(methoxymethyl)phenyl]ethyl]-1-phenylethanamine
CID 154810135

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethylamino)ethyl]phenol?
The IUPAC name of 3-[1-(2-phenylethylamino)ethyl]phenol (CID 43194109) is 3-[1-(2-phenylethylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2-phenylethylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(2-phenylethylamino)ethyl]phenol is CC(NCCc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2-phenylethylamino)ethyl]phenol?
The InChIKey is WPBQBTJVHJGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(15-8-5-9-16(18)12-15)17-11-10-14-6-3-2-4-7-14/h2-9,12-13,17-18H,10-11H2,1H3.
What are the key properties of 3-[1-(2-phenylethylamino)ethyl]phenol?
3-[1-(2-phenylethylamino)ethyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethylamino)ethyl]phenol is sourced from PubChem (CID 43194109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).