(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol

C9H11Cl2NO — CID 28743731

IUPAC(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
SMILESC[C@@H](N)[C@@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-5(12)9(13)6-2-3-7(10)8(11)4-6/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1
InChIKeyCUKVVVSWCDENJJ-MLUIRONXSA-N
MW220.10 g/mol
LogP2.37
Rot. Bonds2

About (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol

(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol (PubChem CID 28743731) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
PubChem CID28743731
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
SMILESC[C@@H](N)[C@@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-5(12)9(13)6-2-3-7(10)8(11)4-6/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1
InChIKeyCUKVVVSWCDENJJ-MLUIRONXSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 137375869
1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672
(1S,2R)-2-amino-1-(3,5-dichlorophenyl)propan-1-ol
CID 93304578
2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67673658
(1S,3R)-3-amino-1-(3,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237440
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol
CID 46892022

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol (CID 28743731) is (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol is C[C@@H](N)[C@@H](O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol?
The InChIKey is CUKVVVSWCDENJJ-MLUIRONXSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-5(12)9(13)6-2-3-7(10)8(11)4-6/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol?
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol has a molecular weight of 220.10 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 28743731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).