2-amino-3-(2,6-dichlorophenyl)propan-1-ol

C9H11Cl2NO — CID 18387991

IUPAC2-amino-3-(2,6-dichlorophenyl)propan-1-ol
SMILESNC(CO)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2NO/c10-8-2-1-3-9(11)7(8)4-6(12)5-13/h1-3,6,13H,4-5,12H2
InChIKeyFKRWEQOZDRALHC-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-3-(2,6-dichlorophenyl)propan-1-ol

2-amino-3-(2,6-dichlorophenyl)propan-1-ol (PubChem CID 18387991) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-amino-3-(2,6-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,6-dichlorophenyl)propan-1-ol
PubChem CID18387991
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-amino-3-(2,6-dichlorophenyl)propan-1-ol
SMILESNC(CO)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2NO/c10-8-2-1-3-9(11)7(8)4-6(12)5-13/h1-3,6,13H,4-5,12H2
InChIKeyFKRWEQOZDRALHC-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791
1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 65321380
1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine
CID 65133097
2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 131211507
3-(2-amino-3-hydroxypropyl)-2-chlorophenol
CID 131148303
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
CID 103846383
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
2-(2,6-dichlorophenyl)-1-nitrosoethanamine
CID 165356359

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,6-dichlorophenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2,6-dichlorophenyl)propan-1-ol (CID 18387991) is 2-amino-3-(2,6-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,6-dichlorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,6-dichlorophenyl)propan-1-ol is NC(CO)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-3-(2,6-dichlorophenyl)propan-1-ol?
The InChIKey is FKRWEQOZDRALHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c10-8-2-1-3-9(11)7(8)4-6(12)5-13/h1-3,6,13H,4-5,12H2.
What are the key properties of 2-amino-3-(2,6-dichlorophenyl)propan-1-ol?
2-amino-3-(2,6-dichlorophenyl)propan-1-ol has a molecular weight of 220.10 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,6-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 18387991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).