2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol

C18H23NO3 — CID 2980382

IUPAC2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol
SMILESCOc1cc(CNCCO)ccc1OCCc1ccccc1
InChIInChI=1S/C18H23NO3/c1-21-18-13-16(14-19-10-11-20)7-8-17(18)22-12-9-15-5-3-2-4-6-15/h2-8,13,19-20H,9-12,14H2,1H3
InChIKeyMREZDALSKLHKNZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.40
Rot. Bonds9

About 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol

2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol (PubChem CID 2980382) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol
PubChem CID2980382
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol
SMILESCOc1cc(CNCCO)ccc1OCCc1ccccc1
InChIInChI=1S/C18H23NO3/c1-21-18-13-16(14-19-10-11-20)7-8-17(18)22-12-9-15-5-3-2-4-6-15/h2-8,13,19-20H,9-12,14H2,1H3
InChIKeyMREZDALSKLHKNZ-UHFFFAOYSA-N
XLogP2.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 5311064
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6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 151186
NE 21610
CID 6441194
4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
CID 9952420
4'-O-Methylnorbelladine
CID 253994
Edma
CID 24257269
4-(3-(Benzylamino)butyl)-2-methoxyphenol
CID 562638

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol (CID 2980382) is 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol is COc1cc(CNCCO)ccc1OCCc1ccccc1.
What is the InChIKey of 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol?
The InChIKey is MREZDALSKLHKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-18-13-16(14-19-10-11-20)7-8-17(18)22-12-9-15-5-3-2-4-6-15/h2-8,13,19-20H,9-12,14H2,1H3.
What are the key properties of 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol?
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 2980382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).