4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one

C18H21NO — CID 116570738

IUPAC4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
SMILESCc1cc(C)cc(C(=O)CCC(N)c2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-13-10-14(2)12-16(11-13)18(20)9-8-17(19)15-6-4-3-5-7-15/h3-7,10-12,17H,8-9,19H2,1-2H3
InChIKeyOLMBYNBBHWJMCB-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.97
Rot. Bonds5

About 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one

4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one (PubChem CID 116570738) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
PubChem CID116570738
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
SMILESCc1cc(C)cc(C(=O)CCC(N)c2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-13-10-14(2)12-16(11-13)18(20)9-8-17(19)15-6-4-3-5-7-15/h3-7,10-12,17H,8-9,19H2,1-2H3
InChIKeyOLMBYNBBHWJMCB-UHFFFAOYSA-N
XLogP3.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1,4-diphenylbutan-1-one
CID 116570833
5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
CID 116570888
4-(2-aminoethyl)-1-(3,5-dimethylphenyl)-5-methylhexan-1-one
CID 116577810
6-amino-2-methyl-6-phenylhex-1-en-3-one
CID 116570824
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454
4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide
CID 63324041
3-amino-N-(3,5-dimethylphenyl)-N-methyl-3-phenylpropanamide
CID 119950423
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
methyl 7-amino-7-phenylheptanoate
CID 139616773

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one (CID 116570738) is 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one is Cc1cc(C)cc(C(=O)CCC(N)c2ccccc2)c1.
What is the InChIKey of 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one?
The InChIKey is OLMBYNBBHWJMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-10-14(2)12-16(11-13)18(20)9-8-17(19)15-6-4-3-5-7-15/h3-7,10-12,17H,8-9,19H2,1-2H3.
What are the key properties of 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one?
4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 116570738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).