1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone

C19H21NO — CID 116611713

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C19H21NO/c1-13-4-3-5-14(2)17(13)12-18(21)19(10-11-19)15-6-8-16(20)9-7-15/h3-9H,10-12,20H2,1-2H3
InChIKeyJTGMOVVYSGWBIH-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.73
Rot. Bonds4

About 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone

1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone (PubChem CID 116611713) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone
PubChem CID116611713
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C19H21NO/c1-13-4-3-5-14(2)17(13)12-18(21)19(10-11-19)15-6-8-16(20)9-7-15/h3-9H,10-12,20H2,1-2H3
InChIKeyJTGMOVVYSGWBIH-UHFFFAOYSA-N
XLogP3.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.73
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

1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone
CID 116611695
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052471
1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
CID 116611630
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116611651
1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
CID 116611743
1-[1-(4-aminophenyl)cyclopropyl]-3,5-dimethylhexan-1-one
CID 114201621
[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone
CID 116611727
1-[4-(aminomethyl)oxan-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116603088
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116611736
1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
CID 116611814
1-(4-aminophenyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 115913214

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone (CID 116611713) is 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone is Cc1cccc(C)c1CC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is JTGMOVVYSGWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-4-3-5-14(2)17(13)12-18(21)19(10-11-19)15-6-8-16(20)9-7-15/h3-9H,10-12,20H2,1-2H3.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone?
1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 279.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 116611713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).