N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine

C14H21NO3 — CID 54931890

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCOc1cccc(CNCC2CCOC2)c1OC
InChIInChI=1S/C14H21NO3/c1-16-13-5-3-4-12(14(13)17-2)9-15-8-11-6-7-18-10-11/h3-5,11,15H,6-10H2,1-2H3
InChIKeyCZFNUYMCQCQCMM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine

N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 54931890) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID54931890
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCOc1cccc(CNCC2CCOC2)c1OC
InChIInChI=1S/C14H21NO3/c1-16-13-5-3-4-12(14(13)17-2)9-15-8-11-6-7-18-10-11/h3-5,11,15H,6-10H2,1-2H3
InChIKeyCZFNUYMCQCQCMM-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057940
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616
3-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383088
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 129372864
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056604
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
CID 60761267
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine (CID 54931890) is N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine is COc1cccc(CNCC2CCOC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is CZFNUYMCQCQCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-13-5-3-4-12(14(13)17-2)9-15-8-11-6-7-18-10-11/h3-5,11,15H,6-10H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.83, 6 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]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 54931890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).