1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol

C12H17Cl2NO2 — CID 103784583

IUPAC1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-8(15-6-9(16)7-17-2)10-4-3-5-11(13)12(10)14/h3-5,8-9,15-16H,6-7H2,1-2H3
InChIKeyOVWBVRAFCFJRET-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.65
Rot. Bonds6

About 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol

1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol (PubChem CID 103784583) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol
PubChem CID103784583
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-8(15-6-9(16)7-17-2)10-4-3-5-11(13)12(10)14/h3-5,8-9,15-16H,6-7H2,1-2H3
InChIKeyOVWBVRAFCFJRET-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081
N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine
CID 103779812
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 136583336
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol (CID 103784583) is 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol is COCC(O)CNC(C)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol?
The InChIKey is OVWBVRAFCFJRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-8(15-6-9(16)7-17-2)10-4-3-5-11(13)12(10)14/h3-5,8-9,15-16H,6-7H2,1-2H3.
What are the key properties of 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol?
1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol has a molecular weight of 278.18 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103784583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).