1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine

C13H21NO2 — CID 117320541

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C13H21NO2/c1-13(2,3)11-6-7-12(15-4)10(8-11)9-14-16-5/h6-8,14H,9H2,1-5H3
InChIKeyGOOXAIRIMUARSR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.64
Rot. Bonds4

About 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine

1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117320541) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
PubChem CID117320541
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C13H21NO2/c1-13(2,3)11-6-7-12(15-4)10(8-11)9-14-16-5/h6-8,14H,9H2,1-5H3
InChIKeyGOOXAIRIMUARSR-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205811
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
4-tert-butyl-1-methoxy-2-(methylsulfonylmethyl)benzene
CID 160796966

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine (CID 117320541) is 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine is CONCc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is GOOXAIRIMUARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)11-6-7-12(15-4)10(8-11)9-14-16-5/h6-8,14H,9H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine?
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117320541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).