1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine

C12H16ClNO — CID 106819818

IUPAC1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)c1ccc(Cl)cc1OC
InChIInChI=1S/C12H16ClNO/c1-3-8-7-12(8,14)10-5-4-9(13)6-11(10)15-2/h4-6,8H,3,7,14H2,1-2H3
InChIKeyXJOLVCGKZNOAPT-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine

1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine (PubChem CID 106819818) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine
PubChem CID106819818
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)c1ccc(Cl)cc1OC
InChIInChI=1S/C12H16ClNO/c1-3-8-7-12(8,14)10-5-4-9(13)6-11(10)15-2/h4-6,8H,3,7,14H2,1-2H3
InChIKeyXJOLVCGKZNOAPT-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine
CID 106819819
1-(4-chloro-2-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 106819817
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
CID 79333872
1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine
CID 107281655
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
CID 115256482
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
2-ethyl-1-(6-methoxypyridazin-3-yl)cyclopropan-1-amine
CID 103375157
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine (CID 106819818) is 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine is CCC1CC1(N)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine?
The InChIKey is XJOLVCGKZNOAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-8-7-12(8,14)10-5-4-9(13)6-11(10)15-2/h4-6,8H,3,7,14H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine?
1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.93, 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-methoxyphenyl)-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 106819818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).