3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one

C10H11Cl2NO2 — CID 82296158

IUPAC3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)CCN
InChIInChI=1S/C10H11Cl2NO2/c1-15-10-7(9(14)2-3-13)4-6(11)5-8(10)12/h4-5H,2-3,13H2,1H3
InChIKeyDDFCJRZUCHXBNV-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one

3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one (PubChem CID 82296158) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
PubChem CID82296158
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)CCN
InChIInChI=1S/C10H11Cl2NO2/c1-15-10-7(9(14)2-3-13)4-6(11)5-8(10)12/h4-5H,2-3,13H2,1H3
InChIKeyDDFCJRZUCHXBNV-UHFFFAOYSA-N
XLogP2.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
4-(3,5-dichloro-2-methoxyphenyl)-4-oxobutanal
CID 14431138
3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
CID 117327645
3-amino-1-(4-chloro-2-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117356323
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
3-amino-1-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-one
CID 117335331
1-(5-chloro-2,3-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
CID 3088210
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
3-amino-1-(6-chloro-2,3,4-trimethoxyphenyl)propan-1-one
CID 117436956
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one
CID 82267037

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one (CID 82296158) is 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one is COc1c(Cl)cc(Cl)cc1C(=O)CCN.
What is the InChIKey of 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one?
The InChIKey is DDFCJRZUCHXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-15-10-7(9(14)2-3-13)4-6(11)5-8(10)12/h4-5H,2-3,13H2,1H3.
What are the key properties of 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one?
3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one has a molecular weight of 248.11 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82296158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).