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

C16H27NO2 — CID 112513655

IUPAC1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
SMILESCOc1c(CNCC(C)O)cc(C)cc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-11-7-13(10-17-9-12(2)18)15(19-6)14(8-11)16(3,4)5/h7-8,12,17-18H,9-10H2,1-6H3
InChIKeyWIJSVJDJAUAEQD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.77
Rot. Bonds5

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

1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol (PubChem CID 112513655) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
PubChem CID112513655
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
SMILESCOc1c(CNCC(C)O)cc(C)cc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-11-7-13(10-17-9-12(2)18)15(19-6)14(8-11)16(3,4)5/h7-8,12,17-18H,9-10H2,1-6H3
InChIKeyWIJSVJDJAUAEQD-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-tert-butyl-2-methoxy-5-methylphenyl)pentane-2,3-diol
CID 83943010
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117351391
1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 82292256
4-amino-1-(3-tert-butyl-2-methoxy-5-methylphenyl)heptan-3-ol
CID 83943004
N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide
CID 57308752
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol (CID 112513655) is 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol is COc1c(CNCC(C)O)cc(C)cc1C(C)(C)C.
What is the InChIKey of 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol?
The InChIKey is WIJSVJDJAUAEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11-7-13(10-17-9-12(2)18)15(19-6)14(8-11)16(3,4)5/h7-8,12,17-18H,9-10H2,1-6H3.
What are the key properties of 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol?
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.77, 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-2-methoxy-5-methylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 112513655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).