2-amino-1-(2-amino-4-chlorophenyl)propan-1-one

C9H11ClN2O — CID 105451868

IUPAC2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
SMILESCC(N)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H11ClN2O/c1-5(11)9(13)7-3-2-6(10)4-8(7)12/h2-5H,11-12H2,1H3
InChIKeySFLZOCPUUWFDBO-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.45
Rot. Bonds2

About 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one

2-amino-1-(2-amino-4-chlorophenyl)propan-1-one (PubChem CID 105451868) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
PubChem CID105451868
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
SMILESCC(N)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H11ClN2O/c1-5(11)9(13)7-3-2-6(10)4-8(7)12/h2-5H,11-12H2,1H3
InChIKeySFLZOCPUUWFDBO-UHFFFAOYSA-N
XLogP1.45
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone
CID 21474024
2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one
CID 84690207
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one
CID 84678785
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
CID 67942436
1-(2-amino-4-chlorophenyl)-3-methylpentan-1-one
CID 64914013
azanium 2-amino-4-chlorobenzoate
CID 23030471
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
4-(2-amino-4-chlorophenyl)-3,3-dideuterio-2-methyl-4-oxobutanoic acid
CID 158632529
2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 91395635
2-amino-4-(2-amino-4-chlorophenyl)-N,N-dimethyl-4-oxobutanamide
CID 126673148

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one (CID 105451868) is 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one is CC(N)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one?
The InChIKey is SFLZOCPUUWFDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-5(11)9(13)7-3-2-6(10)4-8(7)12/h2-5H,11-12H2,1H3.
What are the key properties of 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one?
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one has a molecular weight of 198.65 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-amino-4-chlorophenyl)propan-1-one is sourced from PubChem (CID 105451868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).