[1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone

C17H16FNO — CID 116611830

IUPAC[1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H16FNO/c1-11-10-13(18)4-7-15(11)16(20)17(8-9-17)12-2-5-14(19)6-3-12/h2-7,10H,8-9,19H2,1H3
InChIKeyZEFIGNVRBFFWBW-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.63
Rot. Bonds3

About [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone

[1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone (PubChem CID 116611830) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone
PubChem CID116611830
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name[1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H16FNO/c1-11-10-13(18)4-7-15(11)16(20)17(8-9-17)12-2-5-14(19)6-3-12/h2-7,10H,8-9,19H2,1H3
InChIKeyZEFIGNVRBFFWBW-UHFFFAOYSA-N
XLogP3.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.63
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]-(2-fluoro-5-methylphenyl)methanone
CID 116611701
[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone
CID 116611727
[1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone
CID 106647286
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116612864
(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749257

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone (CID 116611830) is [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is ZEFIGNVRBFFWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-11-10-13(18)4-7-15(11)16(20)17(8-9-17)12-2-5-14(19)6-3-12/h2-7,10H,8-9,19H2,1H3.
What are the key properties of [1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone?
[1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 269.32 g/mol, XLogP of 3.63, 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]-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 116611830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).