2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol

C20H25Cl2NO3 — CID 66530649

IUPAC2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
SMILESCCOc1cc(CNC(CC)CO)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C20H25Cl2NO3/c1-3-16(12-24)23-11-15-9-19(25-4-2)20(10-18(15)22)26-13-14-7-5-6-8-17(14)21/h5-10,16,23-24H,3-4,11-13H2,1-2H3
InChIKeyKYVMXLFREQFCET-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.83
Rot. Bonds10

About 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol

2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol (PubChem CID 66530649) has the molecular formula C20H25Cl2NO3 and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
PubChem CID66530649
Molecular FormulaC20H25Cl2NO3
Molecular Weight398.33 g/mol
Exact Mass397.12
IUPAC Name2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
SMILESCCOc1cc(CNC(CC)CO)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C20H25Cl2NO3/c1-3-16(12-24)23-11-15-9-19(25-4-2)20(10-18(15)22)26-13-14-7-5-6-8-17(14)21/h5-10,16,23-24H,3-4,11-13H2,1-2H3
InChIKeyKYVMXLFREQFCET-UHFFFAOYSA-N
XLogP4.83
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
CID 66532313
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836
(2S)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40726356
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 4716038
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 66531260
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 66530031
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
2-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66530993
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 66537619
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66531772
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 4716004

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol (CID 66530649) is 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol is CCOc1cc(CNC(CC)CO)c(Cl)cc1OCc1ccccc1Cl.
What is the InChIKey of 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol?
The InChIKey is KYVMXLFREQFCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO3/c1-3-16(12-24)23-11-15-9-19(25-4-2)20(10-18(15)22)26-13-14-7-5-6-8-17(14)21/h5-10,16,23-24H,3-4,11-13H2,1-2H3.
What are the key properties of 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol?
2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol has a molecular weight of 398.33 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 66530649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).