1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine

C16H25NO3 — CID 116765647

IUPAC1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(OC)c2)CCOCC1
InChIInChI=1S/C16H25NO3/c1-4-20-16(8-10-19-11-9-16)15(17-2)13-6-5-7-14(12-13)18-3/h5-7,12,15,17H,4,8-11H2,1-3H3
InChIKeyOWEMYAQRSPBXHU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds6

About 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine

1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 116765647) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID116765647
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(OC)c2)CCOCC1
InChIInChI=1S/C16H25NO3/c1-4-20-16(8-10-19-11-9-16)15(17-2)13-6-5-7-14(12-13)18-3/h5-7,12,15,17H,4,8-11H2,1-3H3
InChIKeyOWEMYAQRSPBXHU-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765724
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 123817997
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765595
N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 116766028
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine (CID 116765647) is 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine is CCOC1(C(NC)c2cccc(OC)c2)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is OWEMYAQRSPBXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-16(8-10-19-11-9-16)15(17-2)13-6-5-7-14(12-13)18-3/h5-7,12,15,17H,4,8-11H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 116765647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).