[3-(2-methoxy-2-methylpropyl)phenyl]methanamine

C12H19NO — CID 117110763

IUPAC[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
SMILESCOC(C)(C)Cc1cccc(CN)c1
InChIInChI=1S/C12H19NO/c1-12(2,14-3)8-10-5-4-6-11(7-10)9-13/h4-7H,8-9,13H2,1-3H3
InChIKeyZIGRYCKHTQPBBU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds4

About [3-(2-methoxy-2-methylpropyl)phenyl]methanamine

[3-(2-methoxy-2-methylpropyl)phenyl]methanamine (PubChem CID 117110763) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [3-(2-methoxy-2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
PubChem CID117110763
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
SMILESCOC(C)(C)Cc1cccc(CN)c1
InChIInChI=1S/C12H19NO/c1-12(2,14-3)8-10-5-4-6-11(7-10)9-13/h4-7H,8-9,13H2,1-3H3
InChIKeyZIGRYCKHTQPBBU-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
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
CID 117115621
1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
CID 117114454
2-[3-(2-methoxy-2-methylpropyl)phenyl]acetic acid
CID 117111528
(2-methoxy-2-methylpropyl)benzene
CID 3842751
1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117117355
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
4-(2-methoxy-2-methylpropyl)aniline
CID 91618890
2,2-dimethylpropane;phenylmethanamine
CID 158787980

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-2-methylpropyl)phenyl]methanamine?
The IUPAC name of [3-(2-methoxy-2-methylpropyl)phenyl]methanamine (CID 117110763) is [3-(2-methoxy-2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methoxy-2-methylpropyl)phenyl]methanamine?
The canonical SMILES for [3-(2-methoxy-2-methylpropyl)phenyl]methanamine is COC(C)(C)Cc1cccc(CN)c1.
What is the InChIKey of [3-(2-methoxy-2-methylpropyl)phenyl]methanamine?
The InChIKey is ZIGRYCKHTQPBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,14-3)8-10-5-4-6-11(7-10)9-13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of [3-(2-methoxy-2-methylpropyl)phenyl]methanamine?
[3-(2-methoxy-2-methylpropyl)phenyl]methanamine 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 [3-(2-methoxy-2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 117110763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).