4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine

C17H28N2O2 — CID 115295543

IUPAC4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine
SMILESCOc1ccccc1CC(C)N(C)CC1(N)CCOCC1
InChIInChI=1S/C17H28N2O2/c1-14(12-15-6-4-5-7-16(15)20-3)19(2)13-17(18)8-10-21-11-9-17/h4-7,14H,8-13,18H2,1-3H3
InChIKeyUOKXMEQOJGXZSW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.07
Rot. Bonds6

About 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine

4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine (PubChem CID 115295543) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine
PubChem CID115295543
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine
SMILESCOc1ccccc1CC(C)N(C)CC1(N)CCOCC1
InChIInChI=1S/C17H28N2O2/c1-14(12-15-6-4-5-7-16(15)20-3)19(2)13-17(18)8-10-21-11-9-17/h4-7,14H,8-13,18H2,1-3H3
InChIKeyUOKXMEQOJGXZSW-UHFFFAOYSA-N
XLogP2.07
TPSA47.72 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
1-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclobutane-1-carboxamide
CID 81169240
N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 65486907
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
CID 65486136
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carbaldehyde
CID 62391104
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
3-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]cyclohexan-1-amine
CID 65486545
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylthian-3-amine
CID 65484696
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylbut-2-en-1-amine
CID 77070468

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine?
The IUPAC name of 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine (CID 115295543) is 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine is COc1ccccc1CC(C)N(C)CC1(N)CCOCC1.
What is the InChIKey of 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine?
The InChIKey is UOKXMEQOJGXZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(12-15-6-4-5-7-16(15)20-3)19(2)13-17(18)8-10-21-11-9-17/h4-7,14H,8-13,18H2,1-3H3.
What are the key properties of 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine?
4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]oxan-4-amine is sourced from PubChem (CID 115295543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).