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

C16H19NO — CID 43194097

IUPAC2-[1-(2-phenylethylamino)ethyl]phenol
SMILESCC(NCCc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H19NO/c1-13(15-9-5-6-10-16(15)18)17-12-11-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeyITLIWTXMMBHVHD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.29
Rot. Bonds5

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

2-[1-(2-phenylethylamino)ethyl]phenol (PubChem CID 43194097) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[1-(2-phenylethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2-phenylethylamino)ethyl]phenol
PubChem CID43194097
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[1-(2-phenylethylamino)ethyl]phenol
SMILESCC(NCCc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H19NO/c1-13(15-9-5-6-10-16(15)18)17-12-11-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeyITLIWTXMMBHVHD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(1H-indol-5-yl)ethylamino]ethyl]phenol
CID 166232649
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 63241920
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
CID 43191146
2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
CID 63226241
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012
N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 71862790
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
4-[1-[2-(3-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 62314440

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethylamino)ethyl]phenol?
The IUPAC name of 2-[1-(2-phenylethylamino)ethyl]phenol (CID 43194097) is 2-[1-(2-phenylethylamino)ethyl]phenol.
What is the SMILES notation for 2-[1-(2-phenylethylamino)ethyl]phenol?
The canonical SMILES for 2-[1-(2-phenylethylamino)ethyl]phenol is CC(NCCc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[1-(2-phenylethylamino)ethyl]phenol?
The InChIKey is ITLIWTXMMBHVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(15-9-5-6-10-16(15)18)17-12-11-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of 2-[1-(2-phenylethylamino)ethyl]phenol?
2-[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 2-[1-(2-phenylethylamino)ethyl]phenol is sourced from PubChem (CID 43194097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).