[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone

C18H19NO — CID 116611727

IUPAC[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2(c3ccc(N)cc3)CC2)cc1C
InChIInChI=1S/C18H19NO/c1-12-3-4-14(11-13(12)2)17(20)18(9-10-18)15-5-7-16(19)8-6-15/h3-8,11H,9-10,19H2,1-2H3
InChIKeyYRWQGZWYEUOQGF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.80
Rot. Bonds3

About [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone

[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone (PubChem CID 116611727) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone
PubChem CID116611727
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2(c3ccc(N)cc3)CC2)cc1C
InChIInChI=1S/C18H19NO/c1-12-3-4-14(11-13(12)2)17(20)18(9-10-18)15-5-7-16(19)8-6-15/h3-8,11H,9-10,19H2,1-2H3
InChIKeyYRWQGZWYEUOQGF-UHFFFAOYSA-N
XLogP3.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.80
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-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone
CID 116611830
[1-(4-aminophenyl)cyclopropyl]-(2-fluoro-5-methylphenyl)methanone
CID 116611701
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447660
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone
CID 116611713
(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
CID 116604621
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
CID 107128300
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone
CID 107361566

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone (CID 116611727) is [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2(c3ccc(N)cc3)CC2)cc1C.
What is the InChIKey of [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone?
The InChIKey is YRWQGZWYEUOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-3-4-14(11-13(12)2)17(20)18(9-10-18)15-5-7-16(19)8-6-15/h3-8,11H,9-10,19H2,1-2H3.
What are the key properties of [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone?
[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone has a molecular weight of 265.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 116611727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).