3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one

C16H23NO — CID 94266322

IUPAC3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)CCNC2CC2)c1C
InChIInChI=1S/C16H23NO/c1-10-9-11(2)13(4)16(12(10)3)15(18)7-8-17-14-5-6-14/h9,14,17H,5-8H2,1-4H3
InChIKeyRXESCQBNFJCNMX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.25
Rot. Bonds5

About 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one

3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one (PubChem CID 94266322) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
PubChem CID94266322
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)CCNC2CC2)c1C
InChIInChI=1S/C16H23NO/c1-10-9-11(2)13(4)16(12(10)3)15(18)7-8-17-14-5-6-14/h9,14,17H,5-8H2,1-4H3
InChIKeyRXESCQBNFJCNMX-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94258396
3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82283322
3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94268189
3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116559219
3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
CID 2843030
3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
CID 54925369
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657
4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one
CID 116559347
3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
CID 116559359

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one (CID 94266322) is 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one is Cc1cc(C)c(C)c(C(=O)CCNC2CC2)c1C.
What is the InChIKey of 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The InChIKey is RXESCQBNFJCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-9-11(2)13(4)16(12(10)3)15(18)7-8-17-14-5-6-14/h9,14,17H,5-8H2,1-4H3.
What are the key properties of 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one is sourced from PubChem (CID 94266322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).