1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine

C17H27NO3 — CID 116764818

IUPAC1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)C2(OC)CCOCC2)cc1
InChIInChI=1S/C17H27NO3/c1-4-11-21-15-7-5-14(6-8-15)16(18-2)17(19-3)9-12-20-13-10-17/h5-8,16,18H,4,9-13H2,1-3H3
InChIKeyZELKDCWFDJBVRF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.93
Rot. Bonds7

About 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine

1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine (PubChem CID 116764818) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
PubChem CID116764818
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)C2(OC)CCOCC2)cc1
InChIInChI=1S/C17H27NO3/c1-4-11-21-15-7-5-14(6-8-15)16(18-2)17(19-3)9-12-20-13-10-17/h5-8,16,18H,4,9-13H2,1-3H3
InChIKeyZELKDCWFDJBVRF-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616
N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine
CID 106830052
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
1-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 112744074
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765724
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847
1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116764773
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 116764677

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine (CID 116764818) is 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)C2(OC)CCOCC2)cc1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The InChIKey is ZELKDCWFDJBVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-11-21-15-7-5-14(6-8-15)16(18-2)17(19-3)9-12-20-13-10-17/h5-8,16,18H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine?
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine has a molecular weight of 293.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 116764818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).