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

C14H21NO3 — CID 115768698

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
SMILESCOc1cccc(CNC2(C)CCOC2)c1OC
InChIInChI=1S/C14H21NO3/c1-14(7-8-18-10-14)15-9-11-5-4-6-12(16-2)13(11)17-3/h4-6,15H,7-10H2,1-3H3
InChIKeyFEMLEKNLERUVLW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.97
Rot. Bonds5

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

N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine (PubChem CID 115768698) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
PubChem CID115768698
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
SMILESCOc1cccc(CNC2(C)CCOC2)c1OC
InChIInChI=1S/C14H21NO3/c1-14(7-8-18-10-14)15-9-11-5-4-6-12(16-2)13(11)17-3/h4-6,15H,7-10H2,1-3H3
InChIKeyFEMLEKNLERUVLW-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

2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768576
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052
3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848277
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897497
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine (CID 115768698) is N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine is COc1cccc(CNC2(C)CCOC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine?
The InChIKey is FEMLEKNLERUVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(7-8-18-10-14)15-9-11-5-4-6-12(16-2)13(11)17-3/h4-6,15H,7-10H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine?
N-[(2,3-dimethoxyphenyl)methyl]-3-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-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine is sourced from PubChem (CID 115768698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).