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

C18H29NO2 — CID 79371163

IUPACN-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCc1ccccc1C1OCCCC1CNC(C)(C)C
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-12-14-9-7-11-21-17(14)16-10-6-5-8-15(16)13-20-4/h5-6,8,10,14,17,19H,7,9,11-13H2,1-4H3
InChIKeyWAEWMWHSETXCDE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.69
Rot. Bonds5

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

N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79371163) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79371163
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCc1ccccc1C1OCCCC1CNC(C)(C)C
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-12-14-9-7-11-21-17(14)16-10-6-5-8-15(16)13-20-4/h5-6,8,10,14,17,19H,7,9,11-13H2,1-4H3
InChIKeyWAEWMWHSETXCDE-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine
CID 79366010
2-[2-(methoxymethyl)phenyl]oxan-3-amine
CID 79365604
N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365209
N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368361
N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365299
N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365291
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79364659
N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
CID 79364725
2-methyl-N-[(2-quinolin-8-yloxolan-3-yl)methyl]propan-2-amine
CID 79370305
N-[[2-(5-chloro-1,3-thiazol-2-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 107125994
N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79364943

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 79371163) is N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine is COCc1ccccc1C1OCCCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WAEWMWHSETXCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)19-12-14-9-7-11-21-17(14)16-10-6-5-8-15(16)13-20-4/h5-6,8,10,14,17,19H,7,9,11-13H2,1-4H3.
What are the key properties of N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.69, 5 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]-2-methylpropan-2-amine is sourced from PubChem (CID 79371163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).