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

C18H23NO3 — CID 92925113

IUPAC2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
SMILESCOc1ccc(CNCCO)cc1OCc1cccc(C)c1
InChIInChI=1S/C18H23NO3/c1-14-4-3-5-16(10-14)13-22-18-11-15(12-19-8-9-20)6-7-17(18)21-2/h3-7,10-11,19-20H,8-9,12-13H2,1-2H3
InChIKeySBBMSWMNZULTOW-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.66
Rot. Bonds8

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

2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol (PubChem CID 92925113) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
PubChem CID92925113
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
SMILESCOc1ccc(CNCCO)cc1OCc1cccc(C)c1
InChIInChI=1S/C18H23NO3/c1-14-4-3-5-16(10-14)13-22-18-11-15(12-19-8-9-20)6-7-17(18)21-2/h3-7,10-11,19-20H,8-9,12-13H2,1-2H3
InChIKeySBBMSWMNZULTOW-UHFFFAOYSA-N
XLogP2.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 4722402
2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol
CID 110878918
2-[[4-methoxy-3-(2-phenoxyethoxy)phenyl]methylamino]ethanol
CID 92928810
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 4719784

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol (CID 92925113) is 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol is COc1ccc(CNCCO)cc1OCc1cccc(C)c1.
What is the InChIKey of 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol?
The InChIKey is SBBMSWMNZULTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-14-4-3-5-16(10-14)13-22-18-11-15(12-19-8-9-20)6-7-17(18)21-2/h3-7,10-11,19-20H,8-9,12-13H2,1-2H3.
What are the key properties of 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol?
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 92925113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).