N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine

C14H21NO3 — CID 115335798

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
SMILESCOc1cc(CNC2CCOC2C)cc(OC)c1
InChIInChI=1S/C14H21NO3/c1-10-14(4-5-18-10)15-9-11-6-12(16-2)8-13(7-11)17-3/h6-8,10,14-15H,4-5,9H2,1-3H3
InChIKeyWMBOGGZAIMGYEP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.97
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine

N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine (PubChem CID 115335798) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
PubChem CID115335798
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
SMILESCOc1cc(CNC2CCOC2C)cc(OC)c1
InChIInChI=1S/C14H21NO3/c1-10-14(4-5-18-10)15-9-11-6-12(16-2)8-13(7-11)17-3/h6-8,10,14-15H,4-5,9H2,1-3H3
InChIKeyWMBOGGZAIMGYEP-UHFFFAOYSA-N
XLogP1.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
3-[(3,5-dimethoxyphenyl)methylamino]oxolan-2-one
CID 43824156
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384
N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 54948810
4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314391
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
(2S,3S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]oxolan-3-amine
CID 97107434
2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
CID 115336489
(2S,3R)-N-[(3-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 97102484

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine (CID 115335798) is N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine is COc1cc(CNC2CCOC2C)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is WMBOGGZAIMGYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-14(4-5-18-10)15-9-11-6-12(16-2)8-13(7-11)17-3/h6-8,10,14-15H,4-5,9H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine?
N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine has a molecular weight of 251.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115335798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).