1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol

C19H22Cl2FNO3 — CID 66531708

IUPAC1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNCC(C)O)c(Cl)cc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C19H22Cl2FNO3/c1-3-25-18-6-14(10-23-9-12(2)24)17(21)8-19(18)26-11-13-4-5-15(22)7-16(13)20/h4-8,12,23-24H,3,9-11H2,1-2H3
InChIKeyAVQYYIVMTPVABH-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.58
Rot. Bonds9

About 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol

1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol (PubChem CID 66531708) has the molecular formula C19H22Cl2FNO3 and a molecular weight of 402.29 g/mol. Its IUPAC name is 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
PubChem CID66531708
Molecular FormulaC19H22Cl2FNO3
Molecular Weight402.29 g/mol
Exact Mass401.10
IUPAC Name1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNCC(C)O)c(Cl)cc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C19H22Cl2FNO3/c1-3-25-18-6-14(10-23-9-12(2)24)17(21)8-19(18)26-11-13-4-5-15(22)7-16(13)20/h4-8,12,23-24H,3,9-11H2,1-2H3
InChIKeyAVQYYIVMTPVABH-UHFFFAOYSA-N
XLogP4.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 66531113
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
CID 66531623
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
5-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]pentan-1-ol
CID 66531698
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 66531659
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 66532396
(2R)-1-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51432621
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 51435290
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-1-amine
CID 66530045
3-chloro-N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-fluoroaniline
CID 66540683
(2R)-1-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51987173

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol?
The IUPAC name of 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol (CID 66531708) is 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol is CCOc1cc(CNCC(C)O)c(Cl)cc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol?
The InChIKey is AVQYYIVMTPVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2FNO3/c1-3-25-18-6-14(10-23-9-12(2)24)17(21)8-19(18)26-11-13-4-5-15(22)7-16(13)20/h4-8,12,23-24H,3,9-11H2,1-2H3.
What are the key properties of 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol?
1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol has a molecular weight of 402.29 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol is sourced from PubChem (CID 66531708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).