1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine

C14H21NO3 — CID 117381647

IUPAC1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)c(OC)cc1OC(C)C
InChIInChI=1S/C14H21NO3/c1-9(2)18-13-8-11(16-3)10(7-12(13)17-4)14(15)5-6-14/h7-9H,5-6,15H2,1-4H3
InChIKeyWKVDLVUBZKRECP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.44
Rot. Bonds5

About 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine

1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine (PubChem CID 117381647) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
PubChem CID117381647
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)c(OC)cc1OC(C)C
InChIInChI=1S/C14H21NO3/c1-9(2)18-13-8-11(16-3)10(7-12(13)17-4)14(15)5-6-14/h7-9H,5-6,15H2,1-4H3
InChIKeyWKVDLVUBZKRECP-UHFFFAOYSA-N
XLogP2.44
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-ol
CID 117384091
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
CID 117456418
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
CID 117421996
1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117499584
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
CID 117386623
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117418048
5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
CID 117342981

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine (CID 117381647) is 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine is COc1cc(C2(N)CC2)c(OC)cc1OC(C)C.
What is the InChIKey of 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine?
The InChIKey is WKVDLVUBZKRECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)18-13-8-11(16-3)10(7-12(13)17-4)14(15)5-6-14/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine?
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 117381647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).