[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine

C13H18ClNO2 — CID 117392552

IUPAC[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C2(CN)CC2)c(OC)c(Cl)c1C
InChIInChI=1S/C13H18ClNO2/c1-8-10(16-2)6-9(12(17-3)11(8)14)13(7-15)4-5-13/h6H,4-5,7,15H2,1-3H3
InChIKeyZZODLTLKESXZPO-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.66
Rot. Bonds4

About [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine

[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine (PubChem CID 117392552) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
PubChem CID117392552
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C2(CN)CC2)c(OC)c(Cl)c1C
InChIInChI=1S/C13H18ClNO2/c1-8-10(16-2)6-9(12(17-3)11(8)14)13(7-15)4-5-13/h6H,4-5,7,15H2,1-3H3
InChIKeyZZODLTLKESXZPO-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
CID 117352237
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine (CID 117392552) is [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine is COc1cc(C2(CN)CC2)c(OC)c(Cl)c1C.
What is the InChIKey of [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine?
The InChIKey is ZZODLTLKESXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-10(16-2)6-9(12(17-3)11(8)14)13(7-15)4-5-13/h6H,4-5,7,15H2,1-3H3.
What are the key properties of [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine?
[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine has a molecular weight of 255.74 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117392552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).