2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol

C13H19Cl2NO2 — CID 4717389

IUPAC2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
SMILESCCOc1c(Cl)cc(Cl)cc1CNC(CC)CO
InChIInChI=1S/C13H19Cl2NO2/c1-3-11(8-17)16-7-9-5-10(14)6-12(15)13(9)18-4-2/h5-6,11,16-17H,3-4,7-8H2,1-2H3
InChIKeyUTDIICDUBHHJJG-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.25
Rot. Bonds7

About 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol

2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol (PubChem CID 4717389) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
PubChem CID4717389
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
SMILESCCOc1c(Cl)cc(Cl)cc1CNC(CC)CO
InChIInChI=1S/C13H19Cl2NO2/c1-3-11(8-17)16-7-9-5-10(14)6-12(15)13(9)18-4-2/h5-6,11,16-17H,3-4,7-8H2,1-2H3
InChIKeyUTDIICDUBHHJJG-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol
CID 29225195
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 43207158
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
2-[(3-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 4717396
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
CID 66532313
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
1-(1-adamantyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine
CID 4717144

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol (CID 4717389) is 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol is CCOc1c(Cl)cc(Cl)cc1CNC(CC)CO.
What is the InChIKey of 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is UTDIICDUBHHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-3-11(8-17)16-7-9-5-10(14)6-12(15)13(9)18-4-2/h5-6,11,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol?
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol has a molecular weight of 292.21 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 4717389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).