N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine

C14H23NO2 — CID 115258703

IUPACN-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine
SMILESCOCN(C)Cc1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H23NO2/c1-11(2)12-6-7-13(14(8-12)17-5)9-15(3)10-16-4/h6-8,11H,9-10H2,1-5H3
InChIKeyUUSFVJVJPWXIPU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.85
Rot. Bonds6

About N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine

N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine (PubChem CID 115258703) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine
PubChem CID115258703
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine
SMILESCOCN(C)Cc1ccc(C(C)C)cc1OC
InChIInChI=1S/C14H23NO2/c1-11(2)12-6-7-13(14(8-12)17-5)9-15(3)10-16-4/h6-8,11H,9-10H2,1-5H3
InChIKeyUUSFVJVJPWXIPU-UHFFFAOYSA-N
XLogP2.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
CID 115120711
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151969
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
CID 115235168
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
CID 110789543
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116851139
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine?
The IUPAC name of N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine (CID 115258703) is N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine?
The canonical SMILES for N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine is COCN(C)Cc1ccc(C(C)C)cc1OC.
What is the InChIKey of N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine?
The InChIKey is UUSFVJVJPWXIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)12-6-7-13(14(8-12)17-5)9-15(3)10-16-4/h6-8,11H,9-10H2,1-5H3.
What are the key properties of N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine?
N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115258703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).