1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine

C17H27NO3 — CID 43127988

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine
SMILESCOc1ccc(OC)c(C(N)COC2CCCC(C)C2)c1
InChIInChI=1S/C17H27NO3/c1-12-5-4-6-14(9-12)21-11-16(18)15-10-13(19-2)7-8-17(15)20-3/h7-8,10,12,14,16H,4-6,9,11,18H2,1-3H3
InChIKeyLQXJVEVEZOONMD-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.30
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine

1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine (PubChem CID 43127988) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine
PubChem CID43127988
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine
SMILESCOc1ccc(OC)c(C(N)COC2CCCC(C)C2)c1
InChIInChI=1S/C17H27NO3/c1-12-5-4-6-14(9-12)21-11-16(18)15-10-13(19-2)7-8-17(15)20-3/h7-8,10,12,14,16H,4-6,9,11,18H2,1-3H3
InChIKeyLQXJVEVEZOONMD-UHFFFAOYSA-N
XLogP3.30
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine 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

(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64728380
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 82001110
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127981
1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532358
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
(1R,2S)-2-amino-1-cyclobutyl-2-(2,5-dimethoxyphenyl)ethanol
CID 171162371
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine (CID 43127988) is 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine is COc1ccc(OC)c(C(N)COC2CCCC(C)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The InChIKey is LQXJVEVEZOONMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12-5-4-6-14(9-12)21-11-16(18)15-10-13(19-2)7-8-17(15)20-3/h7-8,10,12,14,16H,4-6,9,11,18H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine?
1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 43127988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).