1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine

C15H22ClNO2 — CID 117456418

IUPAC1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(C2(C(C)N)CC2)c(Cl)cc1OC(C)C
InChIInChI=1S/C15H22ClNO2/c1-9(2)19-14-8-12(16)11(7-13(14)18-4)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3
InChIKeyKYDJESQQSQCNAN-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.51
Rot. Bonds5

About 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine

1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine (PubChem CID 117456418) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
PubChem CID117456418
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(C2(C(C)N)CC2)c(Cl)cc1OC(C)C
InChIInChI=1S/C15H22ClNO2/c1-9(2)19-14-8-12(16)11(7-13(14)18-4)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3
InChIKeyKYDJESQQSQCNAN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
CID 117381647
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117459525
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-ol
CID 117384091
1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
CID 117324448
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine
CID 117439047
6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
CID 117392662
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine (CID 117456418) is 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine is COc1cc(C2(C(C)N)CC2)c(Cl)cc1OC(C)C.
What is the InChIKey of 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine?
The InChIKey is KYDJESQQSQCNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-9(2)19-14-8-12(16)11(7-13(14)18-4)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine?
1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine has a molecular weight of 283.80 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117456418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).