2-[2-(methoxymethyl)phenyl]oxan-3-amine

C13H19NO2 — CID 79365604

IUPAC2-[2-(methoxymethyl)phenyl]oxan-3-amine
SMILESCOCc1ccccc1C1OCCCC1N
InChIInChI=1S/C13H19NO2/c1-15-9-10-5-2-3-6-11(10)13-12(14)7-4-8-16-13/h2-3,5-6,12-13H,4,7-9,14H2,1H3
InChIKeyRJVDCCPYNBROMB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds3

About 2-[2-(methoxymethyl)phenyl]oxan-3-amine

2-[2-(methoxymethyl)phenyl]oxan-3-amine (PubChem CID 79365604) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)phenyl]oxan-3-amine.

Molecular Properties

Compound Name2-[2-(methoxymethyl)phenyl]oxan-3-amine
PubChem CID79365604
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-(methoxymethyl)phenyl]oxan-3-amine
SMILESCOCc1ccccc1C1OCCCC1N
InChIInChI=1S/C13H19NO2/c1-15-9-10-5-2-3-6-11(10)13-12(14)7-4-8-16-13/h2-3,5-6,12-13H,4,7-9,14H2,1H3
InChIKeyRJVDCCPYNBROMB-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
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
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79371163
2-(2,5-dimethoxyphenyl)oxan-3-amine
CID 79364595
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
2-(2-bromo-4,5-dimethoxyphenyl)oxan-3-amine
CID 79365326
dibenzyl [2-(oxolan-2-yl)phenyl]methyl borate
CID 162513629
5-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 79509782
(2R,3R)-2-pyridin-4-yloxan-3-amine
CID 124709129
2-(3,4-dimethoxyphenyl)oxan-3-amine
CID 79365049
2-(2,5-difluorophenyl)oxan-3-amine
CID 79365961
2-(cyclopentylmethyl)-6-[2-(methoxymethyl)phenyl]morpholine
CID 103161186
(2R)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 70310861

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)phenyl]oxan-3-amine?
The IUPAC name of 2-[2-(methoxymethyl)phenyl]oxan-3-amine (CID 79365604) is 2-[2-(methoxymethyl)phenyl]oxan-3-amine.
What is the SMILES notation for 2-[2-(methoxymethyl)phenyl]oxan-3-amine?
The canonical SMILES for 2-[2-(methoxymethyl)phenyl]oxan-3-amine is COCc1ccccc1C1OCCCC1N.
What is the InChIKey of 2-[2-(methoxymethyl)phenyl]oxan-3-amine?
The InChIKey is RJVDCCPYNBROMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-10-5-2-3-6-11(10)13-12(14)7-4-8-16-13/h2-3,5-6,12-13H,4,7-9,14H2,1H3.
What are the key properties of 2-[2-(methoxymethyl)phenyl]oxan-3-amine?
2-[2-(methoxymethyl)phenyl]oxan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)phenyl]oxan-3-amine is sourced from PubChem (CID 79365604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).