(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine

C12H19NO — CID 84665068

IUPAC(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
SMILESCOc1c(C)cc(CN)cc1C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)11-6-10(7-13)5-9(3)12(11)14-4/h5-6,8H,7,13H2,1-4H3
InChIKeyGQTXGBOISDJGSY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.59
Rot. Bonds3

About (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine

(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine (PubChem CID 84665068) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
PubChem CID84665068
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
SMILESCOc1c(C)cc(CN)cc1C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)11-6-10(7-13)5-9(3)12(11)14-4/h5-6,8H,7,13H2,1-4H3
InChIKeyGQTXGBOISDJGSY-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117408749
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine
CID 65471579
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol
CID 114491500
N-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methyl]hydroxylamine
CID 117347740

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine?
The IUPAC name of (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine (CID 84665068) is (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine?
The canonical SMILES for (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine is COc1c(C)cc(CN)cc1C(C)C.
What is the InChIKey of (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine?
The InChIKey is GQTXGBOISDJGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)11-6-10(7-13)5-9(3)12(11)14-4/h5-6,8H,7,13H2,1-4H3.
What are the key properties of (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine?
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 84665068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).