1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone

C12H13Cl2NO — CID 116601293

IUPAC1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone
SMILESNCC1(C(=O)Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H13Cl2NO/c13-9-1-2-10(14)8(5-9)6-11(16)12(7-15)3-4-12/h1-2,5H,3-4,6-7,15H2
InChIKeySVKWJMNALFJLSY-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.84
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone

1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone (PubChem CID 116601293) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone
PubChem CID116601293
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone
SMILESNCC1(C(=O)Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H13Cl2NO/c13-9-1-2-10(14)8(5-9)6-11(16)12(7-15)3-4-12/h1-2,5H,3-4,6-7,15H2
InChIKeySVKWJMNALFJLSY-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]-2-(2,5-dichlorophenyl)ethanone
CID 116602163
2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 114973866
1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116550553
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116603995
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
5-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116553318
1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865265
2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982262
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 116601171
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone (CID 116601293) is 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone is NCC1(C(=O)Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone?
The InChIKey is SVKWJMNALFJLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c13-9-1-2-10(14)8(5-9)6-11(16)12(7-15)3-4-12/h1-2,5H,3-4,6-7,15H2.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone?
1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone has a molecular weight of 258.15 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 116601293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).