1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one

C14H20ClNO2 — CID 112512970

IUPAC1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one
SMILESCCOc1cc(C)c(C(=O)C(CC)NC)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-5-12(16-4)14(17)10-8-11(15)13(18-6-2)7-9(10)3/h7-8,12,16H,5-6H2,1-4H3
InChIKeyOUKYMQHPHDPILD-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.23
Rot. Bonds6

About 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one

1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one (PubChem CID 112512970) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one
PubChem CID112512970
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one
SMILESCCOc1cc(C)c(C(=O)C(CC)NC)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-5-12(16-4)14(17)10-8-11(15)13(18-6-2)7-9(10)3/h7-8,12,16H,5-6H2,1-4H3
InChIKeyOUKYMQHPHDPILD-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
1-(5-chloro-4-methoxy-2-methylphenyl)-2-(methylaminomethyl)butan-1-one
CID 116923895
5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762158
1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
CID 112513504
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 112512495
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
4-(5-chloro-4-ethoxy-2-methylbenzoyl)piperazine-1-carbaldehyde
CID 110762143
ethyl 4-(5-chloro-4-ethoxy-2-methylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808998
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one?
The IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one (CID 112512970) is 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one.
What is the SMILES notation for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one?
The canonical SMILES for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one is CCOc1cc(C)c(C(=O)C(CC)NC)cc1Cl.
What is the InChIKey of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one?
The InChIKey is OUKYMQHPHDPILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-5-12(16-4)14(17)10-8-11(15)13(18-6-2)7-9(10)3/h7-8,12,16H,5-6H2,1-4H3.
What are the key properties of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one?
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one has a molecular weight of 269.77 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one is sourced from PubChem (CID 112512970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).