4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one

C17H27NO — CID 116916617

IUPAC4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one
SMILESCc1cc(C(C)(C)C)ccc1C(=O)CCC(C)(C)N
InChIInChI=1S/C17H27NO/c1-12-11-13(16(2,3)4)7-8-14(12)15(19)9-10-17(5,6)18/h7-8,11H,9-10,18H2,1-6H3
InChIKeySUNSHIKNJZJONK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds4

About 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one

4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one (PubChem CID 116916617) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one
PubChem CID116916617
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one
SMILESCc1cc(C(C)(C)C)ccc1C(=O)CCC(C)(C)N
InChIInChI=1S/C17H27NO/c1-12-11-13(16(2,3)4)7-8-14(12)15(19)9-10-17(5,6)18/h7-8,11H,9-10,18H2,1-6H3
InChIKeySUNSHIKNJZJONK-UHFFFAOYSA-N
XLogP3.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
1-(4-tert-butyl-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 82498362
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116916588
2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
CID 82493916
3-chloro-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 175668332
4-tert-butyl-2-methylbenzenecarboperoxoic acid
CID 54175949
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 79954422

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one (CID 116916617) is 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one is Cc1cc(C(C)(C)C)ccc1C(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one?
The InChIKey is SUNSHIKNJZJONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-11-13(16(2,3)4)7-8-14(12)15(19)9-10-17(5,6)18/h7-8,11H,9-10,18H2,1-6H3.
What are the key properties of 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one?
4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one has a molecular weight of 261.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 116916617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).