1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine

C16H25NO3 — CID 117448254

IUPAC1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
SMILESCOCc1c(OC)ccc(C2(N)CCCCC2)c1OC
InChIInChI=1S/C16H25NO3/c1-18-11-12-14(19-2)8-7-13(15(12)20-3)16(17)9-5-4-6-10-16/h7-8H,4-6,9-11,17H2,1-3H3
InChIKeyDSEWRLOVUZAUSN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.97
Rot. Bonds5

About 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine

1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine (PubChem CID 117448254) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
PubChem CID117448254
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
SMILESCOCc1c(OC)ccc(C2(N)CCCCC2)c1OC
InChIInChI=1S/C16H25NO3/c1-18-11-12-14(19-2)8-7-13(15(12)20-3)16(17)9-5-4-6-10-16/h7-8H,4-6,9-11,17H2,1-3H3
InChIKeyDSEWRLOVUZAUSN-UHFFFAOYSA-N
XLogP2.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-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-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421967
1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421966
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117381454
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
2-[1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449951
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine (CID 117448254) is 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine is COCc1c(OC)ccc(C2(N)CCCCC2)c1OC.
What is the InChIKey of 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine?
The InChIKey is DSEWRLOVUZAUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-11-12-14(19-2)8-7-13(15(12)20-3)16(17)9-5-4-6-10-16/h7-8H,4-6,9-11,17H2,1-3H3.
What are the key properties of 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine?
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117448254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).