1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol

C12H17Cl2NO — CID 115704208

IUPAC1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol
SMILESCCC(NCC(C)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-11(15-7-8(2)16)12-9(13)5-4-6-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3
InChIKeyAGAQLHRGJCINFB-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.41
Rot. Bonds5

About 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol

1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol (PubChem CID 115704208) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol
PubChem CID115704208
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol
SMILESCCC(NCC(C)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-11(15-7-8(2)16)12-9(13)5-4-6-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3
InChIKeyAGAQLHRGJCINFB-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-N-prop-2-ynylpropan-1-amine
CID 115707001
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951
1-[1-(3,4,5-trifluorophenyl)propylamino]propan-2-ol
CID 58528719
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
CID 65188015

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol?
The IUPAC name of 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol (CID 115704208) is 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol?
The canonical SMILES for 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol is CCC(NCC(C)O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol?
The InChIKey is AGAQLHRGJCINFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-11(15-7-8(2)16)12-9(13)5-4-6-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3.
What are the key properties of 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol?
1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol has a molecular weight of 262.18 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dichlorophenyl)propylamino]propan-2-ol is sourced from PubChem (CID 115704208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).