[4-(1-methoxy-2-methylpropyl)phenyl]methanamine

C12H19NO — CID 102547360

IUPAC[4-(1-methoxy-2-methylpropyl)phenyl]methanamine
SMILESCOC(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)12(14-3)11-6-4-10(8-13)5-7-11/h4-7,9,12H,8,13H2,1-3H3
InChIKeyQAHSSTKFTHHBJX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.49
Rot. Bonds4

About [4-(1-methoxy-2-methylpropyl)phenyl]methanamine

[4-(1-methoxy-2-methylpropyl)phenyl]methanamine (PubChem CID 102547360) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [4-(1-methoxy-2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-methoxy-2-methylpropyl)phenyl]methanamine
PubChem CID102547360
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[4-(1-methoxy-2-methylpropyl)phenyl]methanamine
SMILESCOC(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)12(14-3)11-6-4-10(8-13)5-7-11/h4-7,9,12H,8,13H2,1-3H3
InChIKeyQAHSSTKFTHHBJX-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylbutan-2-yl)phenyl]methanamine
CID 115015008
[4-(1,3-dimethoxypropyl)phenyl]methanamine
CID 172700562
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
1-[4-(aminomethyl)phenyl]-2,2-dimethylpropane-1-thiol
CID 87915713
propan-2-yl 2-[4-(aminomethyl)phenyl]propanoate
CID 174916032
4-(aminomethyl)-N-(2-methoxypropyl)aniline
CID 102694583
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
[4-(1-pyrrol-1-ylethyl)phenyl]methanamine
CID 61032949
[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
CID 143390890
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
CID 61278568
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxy-2-methylpropyl)phenyl]methanamine?
The IUPAC name of [4-(1-methoxy-2-methylpropyl)phenyl]methanamine (CID 102547360) is [4-(1-methoxy-2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for [4-(1-methoxy-2-methylpropyl)phenyl]methanamine?
The canonical SMILES for [4-(1-methoxy-2-methylpropyl)phenyl]methanamine is COC(c1ccc(CN)cc1)C(C)C.
What is the InChIKey of [4-(1-methoxy-2-methylpropyl)phenyl]methanamine?
The InChIKey is QAHSSTKFTHHBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)12(14-3)11-6-4-10(8-13)5-7-11/h4-7,9,12H,8,13H2,1-3H3.
What are the key properties of [4-(1-methoxy-2-methylpropyl)phenyl]methanamine?
[4-(1-methoxy-2-methylpropyl)phenyl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxy-2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 102547360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).