5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol

C20H25ClN2O3 — CID 119123506

IUPAC5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC(c2cccc(Cl)c2)N2CCOCC2)cc1O
InChIInChI=1S/C20H25ClN2O3/c1-25-20-6-5-15(11-19(20)24)13-22-14-18(23-7-9-26-10-8-23)16-3-2-4-17(21)12-16/h2-6,11-12,18,22,24H,7-10,13-14H2,1H3
InChIKeyXDEAZDDODLJEPC-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.22
Rot. Bonds7

About 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol

5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol (PubChem CID 119123506) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol
PubChem CID119123506
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC(c2cccc(Cl)c2)N2CCOCC2)cc1O
InChIInChI=1S/C20H25ClN2O3/c1-25-20-6-5-15(11-19(20)24)13-22-14-18(23-7-9-26-10-8-23)16-3-2-4-17(21)12-16/h2-6,11-12,18,22,24H,7-10,13-14H2,1H3
InChIKeyXDEAZDDODLJEPC-UHFFFAOYSA-N
XLogP3.22
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol with MolForge

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Related Compounds

2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol
CID 47015161
4-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 119123498
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine
CID 78849561
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60590030
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86882877
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111201174
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
(2S,3R)-N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyloxolan-3-amine
CID 100906281

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol (CID 119123506) is 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol is COc1ccc(CNCC(c2cccc(Cl)c2)N2CCOCC2)cc1O.
What is the InChIKey of 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol?
The InChIKey is XDEAZDDODLJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-25-20-6-5-15(11-19(20)24)13-22-14-18(23-7-9-26-10-8-23)16-3-2-4-17(21)12-16/h2-6,11-12,18,22,24H,7-10,13-14H2,1H3.
What are the key properties of 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol?
5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol has a molecular weight of 376.88 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 119123506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).