2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one

C17H19NO — CID 116598740

IUPAC2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO/c1-12-5-4-6-13(11-12)16(19)17(2,3)14-7-9-15(18)10-8-14/h4-11H,18H2,1-3H3
InChIKeyKAZSSGSZNGIZAK-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.74
Rot. Bonds3

About 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one

2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one (PubChem CID 116598740) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one
PubChem CID116598740
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO/c1-12-5-4-6-13(11-12)16(19)17(2,3)14-7-9-15(18)10-8-14/h4-11H,18H2,1-3H3
InChIKeyKAZSSGSZNGIZAK-UHFFFAOYSA-N
XLogP3.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116598705
2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883112
3-methylbenzoic acid
CID 7418
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
bis(3-methylphenyl)methanone
CID 17848
3-methylbenzamide;2-methylpropane
CID 160767336
methyl 4-[2-methyl-2-(3-methylphenyl)propanoyl]benzoate
CID 175175278
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
CID 154642971
CID 154642971
argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
2,2-difluoro-3-methyl-1-(3-methylphenyl)butan-1-one
CID 142960653
2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107514971

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one (CID 116598740) is 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)C(C)(C)c2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one?
The InChIKey is KAZSSGSZNGIZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-5-4-6-13(11-12)16(19)17(2,3)14-7-9-15(18)10-8-14/h4-11H,18H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one?
2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one has a molecular weight of 253.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 116598740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).