[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine

C13H18ClNO — CID 117352237

IUPAC[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C2(CN)CC2)cc(C)c(Cl)c1C
InChIInChI=1S/C13H18ClNO/c1-8-6-10(13(7-15)4-5-13)12(16-3)9(2)11(8)14/h6H,4-5,7,15H2,1-3H3
InChIKeyLYGANQMSZMSCGD-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.96
Rot. Bonds3

About [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine

[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine (PubChem CID 117352237) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
PubChem CID117352237
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C2(CN)CC2)cc(C)c(Cl)c1C
InChIInChI=1S/C13H18ClNO/c1-8-6-10(13(7-15)4-5-13)12(16-3)9(2)11(8)14/h6H,4-5,7,15H2,1-3H3
InChIKeyLYGANQMSZMSCGD-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297
[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117392552
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine (CID 117352237) is [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine is COc1c(C2(CN)CC2)cc(C)c(Cl)c1C.
What is the InChIKey of [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine?
The InChIKey is LYGANQMSZMSCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-6-10(13(7-15)4-5-13)12(16-3)9(2)11(8)14/h6H,4-5,7,15H2,1-3H3.
What are the key properties of [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine?
[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine has a molecular weight of 239.75 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117352237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).