2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine

C15H25NO — CID 95452310

IUPAC2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C)cc(C(C)(C)C)c1OC
InChIInChI=1S/C15H25NO/c1-11-9-12(7-8-16-5)14(17-6)13(10-11)15(2,3)4/h9-10,16H,7-8H2,1-6H3
InChIKeyUBVWXQLXAZPTLW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine

2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 95452310) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID95452310
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C)cc(C(C)(C)C)c1OC
InChIInChI=1S/C15H25NO/c1-11-9-12(7-8-16-5)14(17-6)13(10-11)15(2,3)4/h9-10,16H,7-8H2,1-6H3
InChIKeyUBVWXQLXAZPTLW-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine
CID 117343656
5-(3-tert-butyl-2-methoxy-5-methylphenyl)pentane-2,3-diol
CID 83943010
2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
CID 117347697
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202127
4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol
CID 83943004
N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide
CID 57308752
5-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]-3,8,8-trimethyl-7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 143036154
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117361566

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine (CID 95452310) is 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine is CNCCc1cc(C)cc(C(C)(C)C)c1OC.
What is the InChIKey of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is UBVWXQLXAZPTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-9-12(7-8-16-5)14(17-6)13(10-11)15(2,3)4/h9-10,16H,7-8H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine?
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 95452310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).