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

C12H17Cl2NO — CID 103846383

IUPAC(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
SMILESCC(Cc1c(Cl)cccc1Cl)N[C@H](C)CO
InChIInChI=1S/C12H17Cl2NO/c1-8(15-9(2)7-16)6-10-11(13)4-3-5-12(10)14/h3-5,8-9,15-16H,6-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyPFIOPIGWOSPARO-YGPZHTELSA-N
MW262.18 g/mol
LogP2.89
Rot. Bonds5

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

(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol (PubChem CID 103846383) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
PubChem CID103846383
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
SMILESCC(Cc1c(Cl)cccc1Cl)N[C@H](C)CO
InChIInChI=1S/C12H17Cl2NO/c1-8(15-9(2)7-16)6-10-11(13)4-3-5-12(10)14/h3-5,8-9,15-16H,6-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyPFIOPIGWOSPARO-YGPZHTELSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea
CID 97246462
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 70611022
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
CID 99636952
1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
CID 63459849
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97328185
(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
CID 114983164
2-(benzhydrylamino)propan-1-ol
CID 43499566
3-(2,6-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79435910
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol?
The IUPAC name of (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol (CID 103846383) is (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol is CC(Cc1c(Cl)cccc1Cl)N[C@H](C)CO.
What is the InChIKey of (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol?
The InChIKey is PFIOPIGWOSPARO-YGPZHTELSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(15-9(2)7-16)6-10-11(13)4-3-5-12(10)14/h3-5,8-9,15-16H,6-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol?
(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 103846383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).