[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone

C14H12ClNOS — CID 107361566

IUPAC[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C2(C(=O)c3sccc3Cl)CC2)cc1
InChIInChI=1S/C14H12ClNOS/c15-11-5-8-18-12(11)13(17)14(6-7-14)9-1-3-10(16)4-2-9/h1-5,8H,6-7,16H2
InChIKeyIANYWWHCMOECQH-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.90
Rot. Bonds3

About [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone

[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone (PubChem CID 107361566) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone
PubChem CID107361566
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C2(C(=O)c3sccc3Cl)CC2)cc1
InChIInChI=1S/C14H12ClNOS/c15-11-5-8-18-12(11)13(17)14(6-7-14)9-1-3-10(16)4-2-9/h1-5,8H,6-7,16H2
InChIKeyIANYWWHCMOECQH-UHFFFAOYSA-N
XLogP3.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.90
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

(3-chlorothiophen-2-yl)-(1-hydroxycycloheptyl)methanone
CID 107359487
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
[1-(4-aminophenyl)cyclopropyl]-(3,4-dimethylphenyl)methanone
CID 116611727
thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
CID 112558524
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 112558169
1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115913456
1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 115913836

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone (CID 107361566) is [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone is Nc1ccc(C2(C(=O)c3sccc3Cl)CC2)cc1.
What is the InChIKey of [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone?
The InChIKey is IANYWWHCMOECQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-11-5-8-18-12(11)13(17)14(6-7-14)9-1-3-10(16)4-2-9/h1-5,8H,6-7,16H2.
What are the key properties of [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone?
[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone has a molecular weight of 277.78 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 107361566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).