(4-tert-butyl-3-methoxyphenyl)methanamine

C12H19NO — CID 82669944

IUPAC(4-tert-butyl-3-methoxyphenyl)methanamine
SMILESCOc1cc(CN)ccc1C(C)(C)C
InChIInChI=1S/C12H19NO/c1-12(2,3)10-6-5-9(8-13)7-11(10)14-4/h5-7H,8,13H2,1-4H3
InChIKeyDTBLLDMBNIHUJR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.45
Rot. Bonds2

About (4-tert-butyl-3-methoxyphenyl)methanamine

(4-tert-butyl-3-methoxyphenyl)methanamine (PubChem CID 82669944) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4-tert-butyl-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-3-methoxyphenyl)methanamine
PubChem CID82669944
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4-tert-butyl-3-methoxyphenyl)methanamine
SMILESCOc1cc(CN)ccc1C(C)(C)C
InChIInChI=1S/C12H19NO/c1-12(2,3)10-6-5-9(8-13)7-11(10)14-4/h5-7H,8,13H2,1-4H3
InChIKeyDTBLLDMBNIHUJR-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

1-(4-tert-butyl-3-methoxyphenyl)propan-2-one
CID 58452209
(4-tert-butyl-3-(18F)fluorophenyl)methanamine
CID 59678658
(3-tert-butyl-4-methylphenyl)methanamine
CID 59108911
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[4-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20991673
2-[4-(aminomethyl)-2-methoxyphenyl]acetaldehyde
CID 174050388
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
5-(aminomethyl)-2-methoxyphenol
CID 1132998
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3-methoxyphenyl)methanamine?
The IUPAC name of (4-tert-butyl-3-methoxyphenyl)methanamine (CID 82669944) is (4-tert-butyl-3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-tert-butyl-3-methoxyphenyl)methanamine?
The canonical SMILES for (4-tert-butyl-3-methoxyphenyl)methanamine is COc1cc(CN)ccc1C(C)(C)C.
What is the InChIKey of (4-tert-butyl-3-methoxyphenyl)methanamine?
The InChIKey is DTBLLDMBNIHUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-6-5-9(8-13)7-11(10)14-4/h5-7H,8,13H2,1-4H3.
What are the key properties of (4-tert-butyl-3-methoxyphenyl)methanamine?
(4-tert-butyl-3-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 (4-tert-butyl-3-methoxyphenyl)methanamine is sourced from PubChem (CID 82669944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).