(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine

C17H27NO3 — CID 106680981

IUPAC(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCCOC1(C(N)c2c(C)cc(C)cc2OC)CCOCC1
InChIInChI=1S/C17H27NO3/c1-5-21-17(6-8-20-9-7-17)16(18)15-13(3)10-12(2)11-14(15)19-4/h10-11,16H,5-9,18H2,1-4H3
InChIKeyJWHYUJSDXRSXQC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.90
Rot. Bonds5

About (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine

(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine (PubChem CID 106680981) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
PubChem CID106680981
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCCOC1(C(N)c2c(C)cc(C)cc2OC)CCOCC1
InChIInChI=1S/C17H27NO3/c1-5-21-17(6-8-20-9-7-17)16(18)15-13(3)10-12(2)11-14(15)19-4/h10-11,16H,5-9,18H2,1-4H3
InChIKeyJWHYUJSDXRSXQC-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

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 106680980
(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433961
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 116763532
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106680717
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680926
(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680299
2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
CID 106680712

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The IUPAC name of (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine (CID 106680981) is (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine is CCOC1(C(N)c2c(C)cc(C)cc2OC)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The InChIKey is JWHYUJSDXRSXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-21-17(6-8-20-9-7-17)16(18)15-13(3)10-12(2)11-14(15)19-4/h10-11,16H,5-9,18H2,1-4H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-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-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106680981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).