1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine

C17H25NO3 — CID 117470749

IUPAC1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
SMILESCOc1c(OC2CCOCC2)cccc1C1(N)CCCC1
InChIInChI=1S/C17H25NO3/c1-19-16-14(17(18)9-2-3-10-17)5-4-6-15(16)21-13-7-11-20-12-8-13/h4-6,13H,2-3,7-12,18H2,1H3
InChIKeyWVDUFOJFIVUXJM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.98
Rot. Bonds4

About 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine

1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine (PubChem CID 117470749) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
PubChem CID117470749
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
SMILESCOc1c(OC2CCOCC2)cccc1C1(N)CCCC1
InChIInChI=1S/C17H25NO3/c1-19-16-14(17(18)9-2-3-10-17)5-4-6-15(16)21-13-7-11-20-12-8-13/h4-6,13H,2-3,7-12,18H2,1H3
InChIKeyWVDUFOJFIVUXJM-UHFFFAOYSA-N
XLogP2.98
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-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-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117444635
1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117472035
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentan-1-amine
CID 117438963
4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
CID 117488438
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117408023
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine
CID 117417903
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine (CID 117470749) is 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine is COc1c(OC2CCOCC2)cccc1C1(N)CCCC1.
What is the InChIKey of 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine?
The InChIKey is WVDUFOJFIVUXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-16-14(17(18)9-2-3-10-17)5-4-6-15(16)21-13-7-11-20-12-8-13/h4-6,13H,2-3,7-12,18H2,1H3.
What are the key properties of 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine?
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117470749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).