[4-(2-methoxy-2-methylpropyl)phenyl]methanamine

C12H19NO — CID 117110760

IUPAC[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
SMILESCOC(C)(C)Cc1ccc(CN)cc1
InChIInChI=1S/C12H19NO/c1-12(2,14-3)8-10-4-6-11(9-13)7-5-10/h4-7H,8-9,13H2,1-3H3
InChIKeyHRSALCMKGANAJO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds4

About [4-(2-methoxy-2-methylpropyl)phenyl]methanamine

[4-(2-methoxy-2-methylpropyl)phenyl]methanamine (PubChem CID 117110760) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [4-(2-methoxy-2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
PubChem CID117110760
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
SMILESCOC(C)(C)Cc1ccc(CN)cc1
InChIInChI=1S/C12H19NO/c1-12(2,14-3)8-10-4-6-11(9-13)7-5-10/h4-7H,8-9,13H2,1-3H3
InChIKeyHRSALCMKGANAJO-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

Analyze [4-(2-methoxy-2-methylpropyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxy-2-methylpropyl)aniline
CID 91618890
[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110763
1-(2-methoxy-2-methylpropyl)-4-methylbenzene
CID 158908797
(2-methoxy-2-methylpropyl)benzene
CID 3842751
1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
CID 117110911
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966
4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
CID 117115621
1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
CID 117111980
N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide
CID 103017349
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
CID 115111529
(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate
CID 106666335

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-2-methylpropyl)phenyl]methanamine?
The IUPAC name of [4-(2-methoxy-2-methylpropyl)phenyl]methanamine (CID 117110760) is [4-(2-methoxy-2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methoxy-2-methylpropyl)phenyl]methanamine?
The canonical SMILES for [4-(2-methoxy-2-methylpropyl)phenyl]methanamine is COC(C)(C)Cc1ccc(CN)cc1.
What is the InChIKey of [4-(2-methoxy-2-methylpropyl)phenyl]methanamine?
The InChIKey is HRSALCMKGANAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,14-3)8-10-4-6-11(9-13)7-5-10/h4-7H,8-9,13H2,1-3H3.
What are the key properties of [4-(2-methoxy-2-methylpropyl)phenyl]methanamine?
[4-(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 [4-(2-methoxy-2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 117110760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).