[1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine

C15H22ClNO2 — CID 117456574

IUPAC[1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(Cl)c(C2(CN)CC2)c(C(C)C)c1OC
InChIInChI=1S/C15H22ClNO2/c1-9(2)12-13(15(8-17)5-6-15)10(16)7-11(18-3)14(12)19-4/h7,9H,5-6,8,17H2,1-4H3
InChIKeyWWQMGRVBLPANGE-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.47
Rot. Bonds5

About [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine

[1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine (PubChem CID 117456574) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine
PubChem CID117456574
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(Cl)c(C2(CN)CC2)c(C(C)C)c1OC
InChIInChI=1S/C15H22ClNO2/c1-9(2)12-13(15(8-17)5-6-15)10(16)7-11(18-3)14(12)19-4/h7,9H,5-6,8,17H2,1-4H3
InChIKeyWWQMGRVBLPANGE-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483
[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117392552
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117487579
[1-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclobutyl]methanamine
CID 117494450
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine (CID 117456574) is [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine is COc1cc(Cl)c(C2(CN)CC2)c(C(C)C)c1OC.
What is the InChIKey of [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine?
The InChIKey is WWQMGRVBLPANGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-9(2)12-13(15(8-17)5-6-15)10(16)7-11(18-3)14(12)19-4/h7,9H,5-6,8,17H2,1-4H3.
What are the key properties of [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine?
[1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine has a molecular weight of 283.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117456574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).