1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine

C12H19NO — CID 117284060

IUPAC1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
SMILESCOCc1cccc(CC(C)(C)N)c1
InChIInChI=1S/C12H19NO/c1-12(2,13)8-10-5-4-6-11(7-10)9-14-3/h4-7H,8-9,13H2,1-3H3
InChIKeySONQGSDABJOFCH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds4

About 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine

1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117284060) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
PubChem CID117284060
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
SMILESCOCc1cccc(CC(C)(C)N)c1
InChIInChI=1S/C12H19NO/c1-12(2,13)8-10-5-4-6-11(7-10)9-14-3/h4-7H,8-9,13H2,1-3H3
InChIKeySONQGSDABJOFCH-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide
CID 99819230
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
1-but-2-enyl-3-(methoxymethyl)benzene
CID 175299095
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
2-methyl-1-(3-nitrophenyl)propan-2-amine
CID 65015484
1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol
CID 117111973
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117284756
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine (CID 117284060) is 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine is COCc1cccc(CC(C)(C)N)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is SONQGSDABJOFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,13)8-10-5-4-6-11(7-10)9-14-3/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117284060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).