N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine

C19H22Cl2FNO2 — CID 66531623

IUPACN-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)c(Cl)cc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C19H22Cl2FNO2/c1-4-24-18-7-14(10-23-12(2)3)17(21)9-19(18)25-11-13-5-6-15(22)8-16(13)20/h5-9,12,23H,4,10-11H2,1-3H3
InChIKeyYRWWOJXUCJQOTE-UHFFFAOYSA-N
MW386.29 g/mol
LogP5.61
Rot. Bonds8

About N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine

N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine (PubChem CID 66531623) has the molecular formula C19H22Cl2FNO2 and a molecular weight of 386.29 g/mol. Its IUPAC name is N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
PubChem CID66531623
Molecular FormulaC19H22Cl2FNO2
Molecular Weight386.29 g/mol
Exact Mass385.10
IUPAC NameN-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)c(Cl)cc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C19H22Cl2FNO2/c1-4-24-18-7-14(10-23-12(2)3)17(21)9-19(18)25-11-13-5-6-15(22)8-16(13)20/h5-9,12,23H,4,10-11H2,1-3H3
InChIKeyYRWWOJXUCJQOTE-UHFFFAOYSA-N
XLogP5.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.29
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
CID 66531708
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66533264
3-chloro-N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-fluoroaniline
CID 66540683
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 66531659
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,4-dimethylaniline
CID 66540484
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529446
5-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]pentan-1-ol
CID 66531698
1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 66531113
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-fluoroaniline
CID 66541120
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-1-amine
CID 66530045
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529430
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclooctanamine
CID 66533181

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine (CID 66531623) is N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine is CCOc1cc(CNC(C)C)c(Cl)cc1OCc1ccc(F)cc1Cl.
What is the InChIKey of N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine?
The InChIKey is YRWWOJXUCJQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2FNO2/c1-4-24-18-7-14(10-23-12(2)3)17(21)9-19(18)25-11-13-5-6-15(22)8-16(13)20/h5-9,12,23H,4,10-11H2,1-3H3.
What are the key properties of N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine?
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine has a molecular weight of 386.29 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 66531623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).