(5-tert-butyl-2-methoxyphenyl)methanamine

C12H19NO — CID 82075869

IUPAC(5-tert-butyl-2-methoxyphenyl)methanamine
SMILESCOc1ccc(C(C)(C)C)cc1CN
InChIInChI=1S/C12H19NO/c1-12(2,3)10-5-6-11(14-4)9(7-10)8-13/h5-7H,8,13H2,1-4H3
InChIKeyHXWJVGQRJZZUOD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.45
Rot. Bonds2

About (5-tert-butyl-2-methoxyphenyl)methanamine

(5-tert-butyl-2-methoxyphenyl)methanamine (PubChem CID 82075869) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (5-tert-butyl-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-2-methoxyphenyl)methanamine
PubChem CID82075869
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(5-tert-butyl-2-methoxyphenyl)methanamine
SMILESCOc1ccc(C(C)(C)C)cc1CN
InChIInChI=1S/C12H19NO/c1-12(2,3)10-5-6-11(14-4)9(7-10)8-13/h5-7H,8,13H2,1-4H3
InChIKeyHXWJVGQRJZZUOD-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
CID 155398742
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 116931067
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
4-tert-butyl-1-methoxy-2-(methylsulfonylmethyl)benzene
CID 160796966
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
CID 89164345
CID 89164345
N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methoxyphenyl)methanamine?
The IUPAC name of (5-tert-butyl-2-methoxyphenyl)methanamine (CID 82075869) is (5-tert-butyl-2-methoxyphenyl)methanamine.
What is the SMILES notation for (5-tert-butyl-2-methoxyphenyl)methanamine?
The canonical SMILES for (5-tert-butyl-2-methoxyphenyl)methanamine is COc1ccc(C(C)(C)C)cc1CN.
What is the InChIKey of (5-tert-butyl-2-methoxyphenyl)methanamine?
The InChIKey is HXWJVGQRJZZUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-5-6-11(14-4)9(7-10)8-13/h5-7H,8,13H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methoxyphenyl)methanamine?
(5-tert-butyl-2-methoxyphenyl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methoxyphenyl)methanamine is sourced from PubChem (CID 82075869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).