2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride

C21H30Cl2N2O3 — CID 17216101

IUPAC2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride
SMILESCOc1ccc(CNCC(O)c2ccccc2)cc1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C21H28N2O3.2ClH/c1-25-21-8-7-17(13-19(21)16-23-9-11-26-12-10-23)14-22-15-20(24)18-5-3-2-4-6-18;;/h2-8,13,20,22,24H,9-12,14-16H2,1H3;2*1H
InChIKeyFAUVHCMDMYHASO-UHFFFAOYSA-N
MW429.39 g/mol
LogP3.19
Rot. Bonds8

About 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride

2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride (PubChem CID 17216101) has the molecular formula C21H30Cl2N2O3 and a molecular weight of 429.39 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride.

Molecular Properties

Compound Name2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride
PubChem CID17216101
Molecular FormulaC21H30Cl2N2O3
Molecular Weight429.39 g/mol
Exact Mass428.16
IUPAC Name2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride
SMILESCOc1ccc(CNCC(O)c2ccccc2)cc1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C21H28N2O3.2ClH/c1-25-21-8-7-17(13-19(21)16-23-9-11-26-12-10-23)14-22-15-20(24)18-5-3-2-4-6-18;;/h2-8,13,20,22,24H,9-12,14-16H2,1H3;2*1H
InChIKeyFAUVHCMDMYHASO-UHFFFAOYSA-N
XLogP3.19
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol
CID 117450269
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216059
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
2-(cyclohexen-1-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216019
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol
CID 17216054
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-(1H-indol-3-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216103
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625014

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride?
The IUPAC name of 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride (CID 17216101) is 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride.
What is the SMILES notation for 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride?
The canonical SMILES for 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride is COc1ccc(CNCC(O)c2ccccc2)cc1CN1CCOCC1.Cl.Cl.
What is the InChIKey of 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride?
The InChIKey is FAUVHCMDMYHASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.2ClH/c1-25-21-8-7-17(13-19(21)16-23-9-11-26-12-10-23)14-22-15-20(24)18-5-3-2-4-6-18;;/h2-8,13,20,22,24H,9-12,14-16H2,1H3;2*1H.
What are the key properties of 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride?
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride has a molecular weight of 429.39 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylethanol;dihydrochloride is sourced from PubChem (CID 17216101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).