[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate

C9H10Cl2N2O2 — CID 124560204

IUPAC[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate
SMILESNC[C@H](OC(N)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O2/c10-6-3-1-2-5(8(6)11)7(4-12)15-9(13)14/h1-3,7H,4,12H2,(H2,13,14)/t7-/m0/s1
InChIKeyMBJQWYMUCUTIND-ZETCQYMHSA-N
MW249.10 g/mol
LogP2.09
Rot. Bonds3

About [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate

[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate (PubChem CID 124560204) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate
PubChem CID124560204
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate
SMILESNC[C@H](OC(N)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O2/c10-6-3-1-2-5(8(6)11)7(4-12)15-9(13)14/h1-3,7H,4,12H2,(H2,13,14)/t7-/m0/s1
InChIKeyMBJQWYMUCUTIND-ZETCQYMHSA-N
XLogP2.09
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-2-methoxyethanamine
CID 66071961
[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
CID 147632611
(2-amino-1-phenylethyl) carbamate
CID 57066991
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
CID 170827625
carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
CID 23292412
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1R)-1-(2-chlorophenyl)-2-(1,3-dihydrotetrazol-2-yl)ethyl] carbamate
CID 142378040
2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride
CID 170918813
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
CID 146368556

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate?
The IUPAC name of [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate (CID 124560204) is [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate.
What is the SMILES notation for [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate?
The canonical SMILES for [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate is NC[C@H](OC(N)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate?
The InChIKey is MBJQWYMUCUTIND-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c10-6-3-1-2-5(8(6)11)7(4-12)15-9(13)14/h1-3,7H,4,12H2,(H2,13,14)/t7-/m0/s1.
What are the key properties of [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate?
[(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate has a molecular weight of 249.10 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-1-(2,3-dichlorophenyl)ethyl] carbamate is sourced from PubChem (CID 124560204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).