1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one

C16H15Cl2NO — CID 116595878

IUPAC1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
SMILESNCc1ccccc1CC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c17-15-6-5-11(8-16(15)18)7-14(20)9-12-3-1-2-4-13(12)10-19/h1-6,8H,7,9-10,19H2
InChIKeyDPHLDGUIEKXMEB-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one

1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one (PubChem CID 116595878) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
PubChem CID116595878
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
SMILESNCc1ccccc1CC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c17-15-6-5-11(8-16(15)18)7-14(20)9-12-3-1-2-4-13(12)10-19/h1-6,8H,7,9-10,19H2
InChIKeyDPHLDGUIEKXMEB-UHFFFAOYSA-N
XLogP3.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
CID 116595869
1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one
CID 103052423
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
1-(3,4-dichlorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62621958
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409854
(3,4-dichlorophenyl)methanamine;furan-2-carbonyl chloride
CID 160533977
ethyl 5-(3,4-dichlorophenyl)-4-oxopentanoate
CID 63901312

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one (CID 116595878) is 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one is NCc1ccccc1CC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one?
The InChIKey is DPHLDGUIEKXMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-15-6-5-11(8-16(15)18)7-14(20)9-12-3-1-2-4-13(12)10-19/h1-6,8H,7,9-10,19H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one?
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one has a molecular weight of 308.21 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one is sourced from PubChem (CID 116595878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).