[2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride

C11H14Cl3NO — CID 127028423

IUPAC[2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCOc1ccc(Cl)c(Cl)c1C1CC1CN.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-15-9-3-2-8(12)11(13)10(9)7-4-6(7)5-14;/h2-3,6-7H,4-5,14H2,1H3;1H
InChIKeyJRDORSXUUGUHGN-UHFFFAOYSA-N
MW282.60 g/mol
LogP3.49
Rot. Bonds3

About [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride

[2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 127028423) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID127028423
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name[2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCOc1ccc(Cl)c(Cl)c1C1CC1CN.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-15-9-3-2-8(12)11(13)10(9)7-4-6(7)5-14;/h2-3,6-7H,4-5,14H2,1H3;1H
InChIKeyJRDORSXUUGUHGN-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 127028423) is [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride is COc1ccc(Cl)c(Cl)c1C1CC1CN.Cl.
What is the InChIKey of [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is JRDORSXUUGUHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/c1-15-9-3-2-8(12)11(13)10(9)7-4-6(7)5-14;/h2-3,6-7H,4-5,14H2,1H3;1H.
What are the key properties of [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 282.60 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 127028423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).