1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine

C14H23NO2 — CID 116961454

IUPAC1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
SMILESCNC(OC)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)11-9-10(13(15-4)17-6)7-8-12(11)16-5/h7-9,13,15H,1-6H3
InChIKeyCIJUHMICLPLUHA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.86
Rot. Bonds4

About 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine

1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine (PubChem CID 116961454) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
PubChem CID116961454
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
SMILESCNC(OC)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)11-9-10(13(15-4)17-6)7-8-12(11)16-5/h7-9,13,15H,1-6H3
InChIKeyCIJUHMICLPLUHA-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 112510511
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 112510497
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
CID 82049131
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
3-amino-3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940362
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
CID 112509381
2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene
CID 83936789
bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane
CID 137329780

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine (CID 116961454) is 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine is CNC(OC)c1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine?
The InChIKey is CIJUHMICLPLUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)11-9-10(13(15-4)17-6)7-8-12(11)16-5/h7-9,13,15H,1-6H3.
What are the key properties of 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine?
1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine is sourced from PubChem (CID 116961454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).