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

C13H18ClNO — CID 106819819

IUPAC1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)c1ccc(Cl)cc1OC
InChIInChI=1S/C13H18ClNO/c1-3-4-9-8-13(9,15)11-6-5-10(14)7-12(11)16-2/h5-7,9H,3-4,8,15H2,1-2H3
InChIKeyBJNCUHWJEXOJHY-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.32
Rot. Bonds4

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

1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine (PubChem CID 106819819) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine
PubChem CID106819819
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)c1ccc(Cl)cc1OC
InChIInChI=1S/C13H18ClNO/c1-3-4-9-8-13(9,15)11-6-5-10(14)7-12(11)16-2/h5-7,9H,3-4,8,15H2,1-2H3
InChIKeyBJNCUHWJEXOJHY-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine
CID 106819818
1-(4-chloro-2-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 106819817
1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine
CID 106951203
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine
CID 65013516
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
CID 115256482
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
CID 79333872
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-propylcyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine (CID 106819819) is 1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine is CCCC1CC1(N)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine?
The InChIKey is BJNCUHWJEXOJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-4-9-8-13(9,15)11-6-5-10(14)7-12(11)16-2/h5-7,9H,3-4,8,15H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine?
1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.32, 4 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-propylcyclopropan-1-amine is sourced from PubChem (CID 106819819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).