3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine

C17H28N2O2 — CID 65488358

IUPAC3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine
SMILESCNC1CCOCC1N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C17H28N2O2/c1-13(11-14-7-5-6-8-17(14)20-4)19(3)16-12-21-10-9-15(16)18-2/h5-8,13,15-16,18H,9-12H2,1-4H3
InChIKeyCSJYVSYTZJNGTM-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.93
Rot. Bonds6

About 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine

3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine (PubChem CID 65488358) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine
PubChem CID65488358
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine
SMILESCNC1CCOCC1N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C17H28N2O2/c1-13(11-14-7-5-6-8-17(14)20-4)19(3)16-12-21-10-9-15(16)18-2/h5-8,13,15-16,18H,9-12H2,1-4H3
InChIKeyCSJYVSYTZJNGTM-UHFFFAOYSA-N
XLogP1.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65352738
(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 52849838
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469229
4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine
CID 115295543
N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 65487899
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide
CID 65486598
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine?
The IUPAC name of 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine (CID 65488358) is 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine.
What is the SMILES notation for 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine?
The canonical SMILES for 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine is CNC1CCOCC1N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine?
The InChIKey is CSJYVSYTZJNGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(11-14-7-5-6-8-17(14)20-4)19(3)16-12-21-10-9-15(16)18-2/h5-8,13,15-16,18H,9-12H2,1-4H3.
What are the key properties of 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine?
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine has a molecular weight of 292.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine is sourced from PubChem (CID 65488358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).