N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine

C16H25NO2 — CID 107134518

IUPACN-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(CNC(C)C)c1OC1CCCOC1
InChIInChI=1S/C16H25NO2/c1-12(2)17-10-14-7-4-6-13(3)16(14)19-15-8-5-9-18-11-15/h4,6-7,12,15,17H,5,8-11H2,1-3H3
InChIKeyDYYPRTQIYZKOBD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.05
Rot. Bonds5

About N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine

N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine (PubChem CID 107134518) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
PubChem CID107134518
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(CNC(C)C)c1OC1CCCOC1
InChIInChI=1S/C16H25NO2/c1-12(2)17-10-14-7-4-6-13(3)16(14)19-15-8-5-9-18-11-15/h4,6-7,12,15,17H,5,8-11H2,1-3H3
InChIKeyDYYPRTQIYZKOBD-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134528
N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134235
N-[[3-bromo-2-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134326
N-methyl-1-[3-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]methanamine
CID 115952194
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
CID 115005747
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline
CID 166611345
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 116520893
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 104664869
[3-methyl-2-(oxan-4-yloxy)phenyl]methanol
CID 112612396

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine (CID 107134518) is N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine is Cc1cccc(CNC(C)C)c1OC1CCCOC1.
What is the InChIKey of N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine?
The InChIKey is DYYPRTQIYZKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)17-10-14-7-4-6-13(3)16(14)19-15-8-5-9-18-11-15/h4,6-7,12,15,17H,5,8-11H2,1-3H3.
What are the key properties of N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine?
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107134518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).