(4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C14H19NO — CID 66478608

IUPAC(4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2ccc(N)cc2)C1(C)C
InChIInChI=1S/C14H19NO/c1-13(2)12(14(13,3)4)11(16)9-5-7-10(15)8-6-9/h5-8,12H,15H2,1-4H3
InChIKeyYOQDYARDURZRGD-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.13
Rot. Bonds2

About (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 66478608) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID66478608
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2ccc(N)cc2)C1(C)C
InChIInChI=1S/C14H19NO/c1-13(2)12(14(13,3)4)11(16)9-5-7-10(15)8-6-9/h5-8,12H,15H2,1-4H3
InChIKeyYOQDYARDURZRGD-UHFFFAOYSA-N
XLogP3.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.13
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

N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477979
4-aminobenzamide;methanol
CID 144801245
1-(4-aminophenyl)-2-bromo-2-methylpropan-1-one
CID 69226000
(4-aminophenyl)-(azetidin-2-yl)methanone
CID 84655583
2,6-bis(4-aminobenzoyl)cyclohexan-1-one
CID 67815531
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone
CID 152910434
4-aminobenzenecarbothioic S-acid
CID 18539755
4-aminobenzoic acid;hydrofluoride
CID 159690577
bis(1-(4-aminophenyl)ethanone);yttrium
CID 58212341
1-(4-aminophenyl)propan-1-one
CID 6270
4-aminobenzoic acid;cyclohexane-1,2,3,4,5,6-hexol
CID 67913871

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 66478608) is (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2ccc(N)cc2)C1(C)C.
What is the InChIKey of (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is YOQDYARDURZRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(2)12(14(13,3)4)11(16)9-5-7-10(15)8-6-9/h5-8,12H,15H2,1-4H3.
What are the key properties of (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 66478608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).