2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one

C11H14ClNO — CID 84678785

IUPAC2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one
SMILESCCc1ccc(Cl)cc1C(=O)C(C)N
InChIInChI=1S/C11H14ClNO/c1-3-8-4-5-9(12)6-10(8)11(14)7(2)13/h4-7H,3,13H2,1-2H3
InChIKeyFPVLIJRQDLAHKU-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one

2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one (PubChem CID 84678785) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one
PubChem CID84678785
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one
SMILESCCc1ccc(Cl)cc1C(=O)C(C)N
InChIInChI=1S/C11H14ClNO/c1-3-8-4-5-9(12)6-10(8)11(14)7(2)13/h4-7H,3,13H2,1-2H3
InChIKeyFPVLIJRQDLAHKU-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116612120
3-amino-1-(2-amino-5-chlorophenyl)butan-1-one
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4-amino-1-(2,5-dichlorophenyl)pentan-1-one
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CID 103452878
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one (CID 84678785) is 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one is CCc1ccc(Cl)cc1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one?
The InChIKey is FPVLIJRQDLAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-8-4-5-9(12)6-10(8)11(14)7(2)13/h4-7H,3,13H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one?
2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one has a molecular weight of 211.69 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-ethylphenyl)propan-1-one is sourced from PubChem (CID 84678785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).