N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine

C18H29NO2 — CID 79371187

IUPACN-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1cccc(C2OCCCC2CNCC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-14(2)11-19-12-17-8-5-9-21-18(17)16-7-4-6-15(10-16)13-20-3/h4,6-7,10,14,17-19H,5,8-9,11-13H2,1-3H3
InChIKeyHPUOYPRETCOWQZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.55
Rot. Bonds7

About N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79371187) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID79371187
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1cccc(C2OCCCC2CNCC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-14(2)11-19-12-17-8-5-9-21-18(17)16-7-4-6-15(10-16)13-20-3/h4,6-7,10,14,17-19H,5,8-9,11-13H2,1-3H3
InChIKeyHPUOYPRETCOWQZ-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
N-[[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365307
N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79367996
2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine
CID 79365945
N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 83241634
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
CID 79368430
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[[2-(3,4-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365759
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine;hydroiodide
CID 111620237
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79367501
N-[[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79370721
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine
CID 79366010

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine (CID 79371187) is N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine is COCc1cccc(C2OCCCC2CNCC(C)C)c1.
What is the InChIKey of N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HPUOYPRETCOWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)11-19-12-17-8-5-9-21-18(17)16-7-4-6-15(10-16)13-20-3/h4,6-7,10,14,17-19H,5,8-9,11-13H2,1-3H3.
What are the key properties of N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79371187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).