(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C17H27NO3 — CID 103433961

IUPAC(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(C)c(C)c2OC)CCOCC1
InChIInChI=1S/C17H27NO3/c1-5-21-17(8-10-20-11-9-17)16(18)14-7-6-12(2)13(3)15(14)19-4/h6-7,16H,5,8-11,18H2,1-4H3
InChIKeyBSWSWUFHORQKKZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.90
Rot. Bonds5

About (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103433961) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103433961
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(C)c(C)c2OC)CCOCC1
InChIInChI=1S/C17H27NO3/c1-5-21-17(8-10-20-11-9-17)16(18)14-7-6-12(2)13(3)15(14)19-4/h6-7,16H,5,8-11,18H2,1-4H3
InChIKeyBSWSWUFHORQKKZ-UHFFFAOYSA-N
XLogP2.90
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine 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-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433954
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680981
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765595
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755265
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
[(4-ethoxyoxan-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105276821

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103433961) is (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine is CCOC1(C(N)c2ccc(C)c(C)c2OC)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is BSWSWUFHORQKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-21-17(8-10-20-11-9-17)16(18)14-7-6-12(2)13(3)15(14)19-4/h6-7,16H,5,8-11,18H2,1-4H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine has a molecular weight of 293.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103433961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).