3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine

C14H21NO2 — CID 106469193

IUPAC3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1Cc1ccccc1OC
InChIInChI=1S/C14H21NO2/c1-15-13-7-8-17-10-12(13)9-11-5-3-4-6-14(11)16-2/h3-6,12-13,15H,7-10H2,1-2H3
InChIKeyFMLXZXVXWWMFMD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine

3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine (PubChem CID 106469193) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
PubChem CID106469193
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1Cc1ccccc1OC
InChIInChI=1S/C14H21NO2/c1-15-13-7-8-17-10-12(13)9-11-5-3-4-6-14(11)16-2/h3-6,12-13,15H,7-10H2,1-2H3
InChIKeyFMLXZXVXWWMFMD-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469229
3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648111
(3R,4S)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167910
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167911
(3R,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167909
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine
CID 65488358
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881
(3R,4S)-3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167854
3-[(2,5-dichlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648098
(3R,4R)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167857
(3S,4S)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167860

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine (CID 106469193) is 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine is CNC1CCOCC1Cc1ccccc1OC.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine?
The InChIKey is FMLXZXVXWWMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-13-7-8-17-10-12(13)9-11-5-3-4-6-14(11)16-2/h3-6,12-13,15H,7-10H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine?
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 106469193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).