1-[4-chloro-2-(ethylamino)phenyl]propan-1-one

C11H14ClNO — CID 23619743

IUPAC1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
SMILESCCNc1cc(Cl)ccc1C(=O)CC
InChIInChI=1S/C11H14ClNO/c1-3-11(14)9-6-5-8(12)7-10(9)13-4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyBDDOWLWSMBSGAM-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.36
Rot. Bonds4

About 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one

1-[4-chloro-2-(ethylamino)phenyl]propan-1-one (PubChem CID 23619743) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
PubChem CID23619743
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[4-chloro-2-(ethylamino)phenyl]propan-1-one
SMILESCCNc1cc(Cl)ccc1C(=O)CC
InChIInChI=1S/C11H14ClNO/c1-3-11(14)9-6-5-8(12)7-10(9)13-4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyBDDOWLWSMBSGAM-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(ethylamino)-4-nitrophenyl]propan-1-one
CID 174545014
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
4-chloro-2-(ethylamino)phenol
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1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-[6-(ethylamino)-1,3-benzodioxol-5-yl]propan-1-one
CID 67560862
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate
CID 47064206
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
CID 50956773
methyl 4-chloro-2-(ethylsulfonylmethylamino)benzoate
CID 57198531
4-chloro-2-[(4-ethylphenyl)methylamino]benzoic acid
CID 106900803

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one?
The IUPAC name of 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one (CID 23619743) is 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one is CCNc1cc(Cl)ccc1C(=O)CC.
What is the InChIKey of 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one?
The InChIKey is BDDOWLWSMBSGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-11(14)9-6-5-8(12)7-10(9)13-4-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one?
1-[4-chloro-2-(ethylamino)phenyl]propan-1-one has a molecular weight of 211.69 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(ethylamino)phenyl]propan-1-one is sourced from PubChem (CID 23619743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).