1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine

C12H16ClNO — CID 84790711

IUPAC1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
SMILESCOc1c(C)cc(Cl)c(C)c1C1(N)CC1
InChIInChI=1S/C12H16ClNO/c1-7-6-9(13)8(2)10(11(7)15-3)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyONTXALBSIZMFDF-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.91
Rot. Bonds2

About 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine

1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine (PubChem CID 84790711) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
PubChem CID84790711
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
SMILESCOc1c(C)cc(Cl)c(C)c1C1(N)CC1
InChIInChI=1S/C12H16ClNO/c1-7-6-9(13)8(2)10(11(7)15-3)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyONTXALBSIZMFDF-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84780719
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84783125
1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
CID 117476823
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine (CID 84790711) is 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine is COc1c(C)cc(Cl)c(C)c1C1(N)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is ONTXALBSIZMFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7-6-9(13)8(2)10(11(7)15-3)12(14)4-5-12/h6H,4-5,14H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine?
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84790711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).