[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine

C14H23NO2 — CID 62018202

IUPAC[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
SMILESCCC(C)(C)OCc1cc(CN)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-14(2,3)17-10-12-8-11(9-15)6-7-13(12)16-4/h6-8H,5,9-10,15H2,1-4H3
InChIKeyGVLBHOKBGHCJKQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.86
Rot. Bonds6

About [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine

[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine (PubChem CID 62018202) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
PubChem CID62018202
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
SMILESCCC(C)(C)OCc1cc(CN)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-14(2,3)17-10-12-8-11(9-15)6-7-13(12)16-4/h6-8H,5,9-10,15H2,1-4H3
InChIKeyGVLBHOKBGHCJKQ-UHFFFAOYSA-N
XLogP2.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 28996271
[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine
CID 106665154
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
[3-(tert-butylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64645567
[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]methanamine
CID 64653988
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
5-(aminomethyl)-2-methoxyphenol
CID 1132998
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine
CID 62017257
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine (CID 62018202) is [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine is CCC(C)(C)OCc1cc(CN)ccc1OC.
What is the InChIKey of [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is GVLBHOKBGHCJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-14(2,3)17-10-12-8-11(9-15)6-7-13(12)16-4/h6-8H,5,9-10,15H2,1-4H3.
What are the key properties of [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine?
[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 237.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 62018202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).