1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine

C17H25NO — CID 117402808

IUPAC1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(C2CCCC2)cc1C1(C(C)N)CC1
InChIInChI=1S/C17H25NO/c1-12(18)17(9-10-17)15-11-14(7-8-16(15)19-2)13-5-3-4-6-13/h7-8,11-13H,3-6,9-10,18H2,1-2H3
InChIKeyHOKNNSAVTKGCCI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.73
Rot. Bonds4

About 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine

1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117402808) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID117402808
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(C2CCCC2)cc1C1(C(C)N)CC1
InChIInChI=1S/C17H25NO/c1-12(18)17(9-10-17)15-11-14(7-8-16(15)19-2)13-5-3-4-6-13/h7-8,11-13H,3-6,9-10,18H2,1-2H3
InChIKeyHOKNNSAVTKGCCI-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117436622
1-(5-cyclohexyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117464165
1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
CID 117402785
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
4-cyclopentyl-2-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 117459837
2-(5-cyclopentyl-2-methoxyphenyl)propan-1-ol
CID 117341035
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[1-(2-cyclohexylphenyl)cyclopropyl]ethanamine
CID 117360924
1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
CID 117397248
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
CID 117402799

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine (CID 117402808) is 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine is COc1ccc(C2CCCC2)cc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is HOKNNSAVTKGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(18)17(9-10-17)15-11-14(7-8-16(15)19-2)13-5-3-4-6-13/h7-8,11-13H,3-6,9-10,18H2,1-2H3.
What are the key properties of 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine?
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117402808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).