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

C17H27NO2 — CID 79366010

IUPACN-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine
SMILESCOCc1ccccc1C1OCCCC1CNC(C)C
InChIInChI=1S/C17H27NO2/c1-13(2)18-11-14-8-6-10-20-17(14)16-9-5-4-7-15(16)12-19-3/h4-5,7,9,13-14,17-18H,6,8,10-12H2,1-3H3
InChIKeyYAPKZKOOQWCSDG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.30
Rot. Bonds6

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

N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine (PubChem CID 79366010) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine
PubChem CID79366010
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine
SMILESCOCc1ccccc1C1OCCCC1CNC(C)C
InChIInChI=1S/C17H27NO2/c1-13(2)18-11-14-8-6-10-20-17(14)16-9-5-4-7-15(16)12-19-3/h4-5,7,9,13-14,17-18H,6,8,10-12H2,1-3H3
InChIKeyYAPKZKOOQWCSDG-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79371163
2-[2-(methoxymethyl)phenyl]oxan-3-amine
CID 79365604
N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365830
N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365291
N-[[2-(4-bromo-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365469
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
CID 79364725
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79371187
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79364943
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368626

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine (CID 79366010) is N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine is COCc1ccccc1C1OCCCC1CNC(C)C.
What is the InChIKey of N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine?
The InChIKey is YAPKZKOOQWCSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)18-11-14-8-6-10-20-17(14)16-9-5-4-7-15(16)12-19-3/h4-5,7,9,13-14,17-18H,6,8,10-12H2,1-3H3.
What are the key properties of N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine?
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79366010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).