N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine

C14H21NO2 — CID 54931616

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCOc1ccc(C)cc1CNCC1CCOC1
InChIInChI=1S/C14H21NO2/c1-11-3-4-14(16-2)13(7-11)9-15-8-12-5-6-17-10-12/h3-4,7,12,15H,5-6,8-10H2,1-2H3
InChIKeyMBDOXABNPQHNSV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

About N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine

N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 54931616) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID54931616
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCOc1ccc(C)cc1CNCC1CCOC1
InChIInChI=1S/C14H21NO2/c1-11-3-4-14(16-2)13(7-11)9-15-8-12-5-6-17-10-12/h3-4,7,12,15H,5-6,8-10H2,1-2H3
InChIKeyMBDOXABNPQHNSV-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 62134262
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
N-[(2-methoxy-5-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227161
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine (CID 54931616) is N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine is COc1ccc(C)cc1CNCC1CCOC1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is MBDOXABNPQHNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-3-4-14(16-2)13(7-11)9-15-8-12-5-6-17-10-12/h3-4,7,12,15H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 54931616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).