[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine

C14H23NO2 — CID 54958135

IUPAC[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCCC(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)7-8-17-13-9-12(16-4)6-5-11(13)10-15/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyNFMYCIZJSSTHGM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.97
Rot. Bonds5

About [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine

[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine (PubChem CID 54958135) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
PubChem CID54958135
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCCC(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)7-8-17-13-9-12(16-4)6-5-11(13)10-15/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyNFMYCIZJSSTHGM-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 20985841
N-[[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63059033
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20987975
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 54957615
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
CID 61481330
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
[2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine
CID 118482018
[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22681321

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine (CID 54958135) is [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(OCCC(C)(C)C)c1.
What is the InChIKey of [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine?
The InChIKey is NFMYCIZJSSTHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)7-8-17-13-9-12(16-4)6-5-11(13)10-15/h5-6,9H,7-8,10,15H2,1-4H3.
What are the key properties of [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine?
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine has a molecular weight of 237.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 54958135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).