[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine

C13H18ClNO2 — CID 117392540

IUPAC[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1cc(OC)c(Cl)cc1C1(CN)CC1
InChIInChI=1S/C13H18ClNO2/c1-3-17-11-7-12(16-2)10(14)6-9(11)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3
InChIKeyVAEIHNCFULBNHU-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.74
Rot. Bonds5

About [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine

[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 117392540) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
PubChem CID117392540
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1cc(OC)c(Cl)cc1C1(CN)CC1
InChIInChI=1S/C13H18ClNO2/c1-3-17-11-7-12(16-2)10(14)6-9(11)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3
InChIKeyVAEIHNCFULBNHU-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117483371
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
1-chloro-4-ethoxy-5-(1-isocyanatocyclopropyl)-2-methoxybenzene
CID 117422754
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine (CID 117392540) is [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine is CCOc1cc(OC)c(Cl)cc1C1(CN)CC1.
What is the InChIKey of [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is VAEIHNCFULBNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-17-11-7-12(16-2)10(14)6-9(11)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3.
What are the key properties of [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine?
[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 255.74 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117392540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).