1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine

C14H21NO3 — CID 117381460

IUPAC1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(N)CCCC2)c(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-16-11-7-6-10(12(17-2)13(11)18-3)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyUXRZCYNIEWTZCH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.44
Rot. Bonds4

About 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine

1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine (PubChem CID 117381460) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
PubChem CID117381460
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(N)CCCC2)c(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-16-11-7-6-10(12(17-2)13(11)18-3)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyUXRZCYNIEWTZCH-UHFFFAOYSA-N
XLogP2.44
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine (CID 117381460) is 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine is COc1ccc(C2(N)CCCC2)c(OC)c1OC.
What is the InChIKey of 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine?
The InChIKey is UXRZCYNIEWTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-11-7-6-10(12(17-2)13(11)18-3)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine?
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117381460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).