[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone

C16H16ClNO — CID 86104305

IUPAC[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone
SMILESCc1cc(CN)cc(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-10-7-12(9-18)8-11(2)15(10)16(19)13-3-5-14(17)6-4-13/h3-8H,9,18H2,1-2H3
InChIKeyIPBMTERQVQPHRY-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.65
Rot. Bonds3

About [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone

[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone (PubChem CID 86104305) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone
PubChem CID86104305
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone
SMILESCc1cc(CN)cc(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-10-7-12(9-18)8-11(2)15(10)16(19)13-3-5-14(17)6-4-13/h3-8H,9,18H2,1-2H3
InChIKeyIPBMTERQVQPHRY-UHFFFAOYSA-N
XLogP3.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone
CID 44720409
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
[4-(aminomethyl)phenyl] 4-chlorobenzoate;ethane
CID 144735667
(4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 122368732
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
CID 19689380
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803147
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone (CID 86104305) is [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone is Cc1cc(CN)cc(C)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone?
The InChIKey is IPBMTERQVQPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-7-12(9-18)8-11(2)15(10)16(19)13-3-5-14(17)6-4-13/h3-8H,9,18H2,1-2H3.
What are the key properties of [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone?
[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone has a molecular weight of 273.76 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 86104305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).