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

C12H16ClNO — CID 84690207

IUPAC2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one
SMILESCC(N)C(=O)c1cc(Cl)ccc1C(C)C
InChIInChI=1S/C12H16ClNO/c1-7(2)10-5-4-9(13)6-11(10)12(15)8(3)14/h4-8H,14H2,1-3H3
InChIKeyAHGHAWRJEFSMNJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.99
Rot. Bonds3

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

2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one (PubChem CID 84690207) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one
PubChem CID84690207
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one
SMILESCC(N)C(=O)c1cc(Cl)ccc1C(C)C
InChIInChI=1S/C12H16ClNO/c1-7(2)10-5-4-9(13)6-11(10)12(15)8(3)14/h4-8H,14H2,1-3H3
InChIKeyAHGHAWRJEFSMNJ-UHFFFAOYSA-N
XLogP2.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84678785
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CID 84680049
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CID 966223
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
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2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
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2-(4-chloro-2-phenylphenyl)propanamide
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(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
(2S)-2-amino-1-(2-sulfanylphenyl)propan-1-one
CID 91120134

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one (CID 84690207) is 2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one is CC(N)C(=O)c1cc(Cl)ccc1C(C)C.
What is the InChIKey of 2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one?
The InChIKey is AHGHAWRJEFSMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7(2)10-5-4-9(13)6-11(10)12(15)8(3)14/h4-8H,14H2,1-3H3.
What are the key properties of 2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one?
2-amino-1-(5-chloro-2-propan-2-ylphenyl)propan-1-one has a molecular weight of 225.72 g/mol, XLogP of 2.99, 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-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 84690207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).