2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one

C18H21NO — CID 116563828

IUPAC2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one
SMILESCCCc1ccc(C(=O)C(C)(N)c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-3-7-14-10-12-15(13-11-14)17(20)18(2,19)16-8-5-4-6-9-16/h4-6,8-13H,3,7,19H2,1-2H3
InChIKeyRYNMERAFDHKOAL-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.70
Rot. Bonds5

About 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one

2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one (PubChem CID 116563828) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one
PubChem CID116563828
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one
SMILESCCCc1ccc(C(=O)C(C)(N)c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-3-7-14-10-12-15(13-11-14)17(20)18(2,19)16-8-5-4-6-9-16/h4-6,8-13H,3,7,19H2,1-2H3
InChIKeyRYNMERAFDHKOAL-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-propylbenzoic acid
CID 91047964
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
(1-ethoxy-1-oxo-2-phenylpropan-2-yl) 4-propylbenzoate
CID 175353195
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
2-amino-2-phenylhexan-3-one
CID 116563859
acetamide;propylbenzene
CID 142238516
methyl 2,2-dimethyl-3-oxo-3-(4-propylphenyl)propanoate
CID 116919228
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
S-phenyl 4-propylbenzenecarbothioate
CID 139896746
tert-butyl carbamate;propylbenzene
CID 146635957
3-methyl-3-(4-propylphenyl)butan-2-one
CID 82282891

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one?
The IUPAC name of 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one (CID 116563828) is 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one?
The canonical SMILES for 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one is CCCc1ccc(C(=O)C(C)(N)c2ccccc2)cc1.
What is the InChIKey of 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one?
The InChIKey is RYNMERAFDHKOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-7-14-10-12-15(13-11-14)17(20)18(2,19)16-8-5-4-6-9-16/h4-6,8-13H,3,7,19H2,1-2H3.
What are the key properties of 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one?
2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one is sourced from PubChem (CID 116563828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).