2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol

C12H17Cl2NO3 — CID 114156111

IUPAC2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO3/c1-18-7-9(6-16)15-5-12(17)10-4-8(13)2-3-11(10)14/h2-4,9,12,15-17H,5-7H2,1H3
InChIKeyNWJCSPWEBDQLDP-UHFFFAOYSA-N
MW294.18 g/mol
LogP1.62
Rot. Bonds7

About 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol

2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol (PubChem CID 114156111) has the molecular formula C12H17Cl2NO3 and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol
PubChem CID114156111
Molecular FormulaC12H17Cl2NO3
Molecular Weight294.18 g/mol
Exact Mass293.06
IUPAC Name2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO3/c1-18-7-9(6-16)15-5-12(17)10-4-8(13)2-3-11(10)14/h2-4,9,12,15-17H,5-7H2,1H3
InChIKeyNWJCSPWEBDQLDP-UHFFFAOYSA-N
XLogP1.62
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
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1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
CID 60980063
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4-[1-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]ethyl]benzonitrile
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CID 106190268

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol (CID 114156111) is 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol is COCC(CO)NCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol?
The InChIKey is NWJCSPWEBDQLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3/c1-18-7-9(6-16)15-5-12(17)10-4-8(13)2-3-11(10)14/h2-4,9,12,15-17H,5-7H2,1H3.
What are the key properties of 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol?
2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol has a molecular weight of 294.18 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 114156111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).