[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone

C17H16ClNO2 — CID 116611778

IUPAC[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H16ClNO2/c1-21-15-7-4-12(18)10-14(15)16(20)17(8-9-17)11-2-5-13(19)6-3-11/h2-7,10H,8-9,19H2,1H3
InChIKeyXTBPKZAOPIHEOP-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.85
Rot. Bonds4

About [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone

[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 116611778) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
PubChem CID116611778
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H16ClNO2/c1-21-15-7-4-12(18)10-14(15)16(20)17(8-9-17)11-2-5-13(19)6-3-11/h2-7,10H,8-9,19H2,1H3
InChIKeyXTBPKZAOPIHEOP-UHFFFAOYSA-N
XLogP3.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
[1-(4-aminophenyl)cyclopropyl]-(2-fluoro-5-methylphenyl)methanone
CID 116611701
3-(4-aminophenyl)-1-(5-chloro-2-methoxyphenyl)propan-1-one
CID 116605537
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
5-chloro-2-methoxybenzoate
CID 6933314
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone
CID 116611727
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052471

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone (CID 116611778) is [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is XTBPKZAOPIHEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-15-7-4-12(18)10-14(15)16(20)17(8-9-17)11-2-5-13(19)6-3-11/h2-7,10H,8-9,19H2,1H3.
What are the key properties of [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone?
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 301.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 116611778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).