1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol

C18H21Cl2NO2 — CID 4618279

IUPAC1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESCCN(Cc1ccccc1)CC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2NO2/c1-2-21(11-14-6-4-3-5-7-14)12-16(22)13-23-18-9-8-15(19)10-17(18)20/h3-10,16,22H,2,11-13H2,1H3
InChIKeyAGJKXCLKJGOAQN-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.26
Rot. Bonds8

About 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol

1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol (PubChem CID 4618279) has the molecular formula C18H21Cl2NO2 and a molecular weight of 354.28 g/mol. Its IUPAC name is 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
PubChem CID4618279
Molecular FormulaC18H21Cl2NO2
Molecular Weight354.28 g/mol
Exact Mass353.09
IUPAC Name1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESCCN(Cc1ccccc1)CC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2NO2/c1-2-21(11-14-6-4-3-5-7-14)12-16(22)13-23-18-9-8-15(19)10-17(18)20/h3-10,16,22H,2,11-13H2,1H3
InChIKeyAGJKXCLKJGOAQN-UHFFFAOYSA-N
XLogP4.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
CID 16798589
benzyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-ethylazanium
CID 7157672
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 112820795
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol
CID 46007695
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
CID 71384988
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol?
The IUPAC name of 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol (CID 4618279) is 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol?
The canonical SMILES for 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol is CCN(Cc1ccccc1)CC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol?
The InChIKey is AGJKXCLKJGOAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO2/c1-2-21(11-14-6-4-3-5-7-14)12-16(22)13-23-18-9-8-15(19)10-17(18)20/h3-10,16,22H,2,11-13H2,1H3.
What are the key properties of 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol?
1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol has a molecular weight of 354.28 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 4618279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).