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

C14H21NO2 — CID 78957307

IUPAC1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCOc1ccc(C)cc1CNCC1(C)COC1
InChIInChI=1S/C14H21NO2/c1-11-4-5-13(16-3)12(6-11)7-15-8-14(2)9-17-10-14/h4-6,15H,7-10H2,1-3H3
InChIKeyVYPWYXUJAPQPKA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

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

1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (PubChem CID 78957307) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
PubChem CID78957307
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCOc1ccc(C)cc1CNCC1(C)COC1
InChIInChI=1S/C14H21NO2/c1-11-4-5-13(16-3)12(6-11)7-15-8-14(2)9-17-10-14/h4-6,15H,7-10H2,1-3H3
InChIKeyVYPWYXUJAPQPKA-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

1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957495
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methoxy-5-methylphenyl)methanamine
CID 103838733
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242207
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
1-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957485
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956644
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616
1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115876377
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247965

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (CID 78957307) is 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is COc1ccc(C)cc1CNCC1(C)COC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The InChIKey is VYPWYXUJAPQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-5-13(16-3)12(6-11)7-15-8-14(2)9-17-10-14/h4-6,15H,7-10H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]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 1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 78957307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).