2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol

C19H25NO3 — CID 92928362

IUPAC2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
SMILESCOc1cccc(CNCCO)c1OCCCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-22-18-11-5-10-17(15-20-12-13-21)19(18)23-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,20-21H,6,9,12-15H2,1H3
InChIKeyCOKFCNRKLWHFBQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.79
Rot. Bonds10

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

2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol (PubChem CID 92928362) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
PubChem CID92928362
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
SMILESCOc1cccc(CNCCO)c1OCCCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-22-18-11-5-10-17(15-20-12-13-21)19(18)23-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,20-21H,6,9,12-15H2,1H3
InChIKeyCOKFCNRKLWHFBQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.79
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

2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N-[(3-methoxy-2-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804480
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803600
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 39455826
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol (CID 92928362) is 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol is COc1cccc(CNCCO)c1OCCCc1ccccc1.
What is the InChIKey of 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol?
The InChIKey is COKFCNRKLWHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-22-18-11-5-10-17(15-20-12-13-21)19(18)23-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,20-21H,6,9,12-15H2,1H3.
What are the key properties of 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol?
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol has a molecular weight of 315.41 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 92928362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).