1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol

C15H25NO2 — CID 112510511

IUPAC1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-15(2,3)12-10-11(6-7-14(12)18-5)13(17)8-9-16-4/h6-7,10,13,16-17H,8-9H2,1-5H3
InChIKeyFXMDXMXNMRSUST-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds5

About 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol

1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol (PubChem CID 112510511) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
PubChem CID112510511
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-15(2,3)12-10-11(6-7-14(12)18-5)13(17)8-9-16-4/h6-7,10,13,16-17H,8-9H2,1-5H3
InChIKeyFXMDXMXNMRSUST-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 112510497
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512918
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
CID 82049131
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
CID 116961454
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol (CID 112510511) is 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol is CNCCC(O)c1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is FXMDXMXNMRSUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)12-10-11(6-7-14(12)18-5)13(17)8-9-16-4/h6-7,10,13,16-17H,8-9H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 112510511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).