1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol

C16H27NO2 — CID 112512918

IUPAC1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-11-9-15(19-6)13(16(2,3)4)10-12(11)14(18)7-8-17-5/h9-10,14,17-18H,7-8H2,1-6H3
InChIKeyWEXCNIFIHNROTC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds5

About 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol

1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol (PubChem CID 112512918) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
PubChem CID112512918
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-11-9-15(19-6)13(16(2,3)4)10-12(11)14(18)7-8-17-5/h9-10,14,17-18H,7-8H2,1-6H3
InChIKeyWEXCNIFIHNROTC-UHFFFAOYSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 112510511
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
CID 82496678
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 82481489
1-(4-methoxy-2,5-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890556
3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 112510132
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
1-(4,5-dimethoxy-2-methylphenyl)octane-1,8-diol
CID 166530640

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol (CID 112512918) is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol is CNCCC(O)c1cc(C(C)(C)C)c(OC)cc1C.
What is the InChIKey of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is WEXCNIFIHNROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11-9-15(19-6)13(16(2,3)4)10-12(11)14(18)7-8-17-5/h9-10,14,17-18H,7-8H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol?
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 112512918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).