3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol

C15H25NO3 — CID 115122088

IUPAC3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol
SMILESCOc1ccc(CNCC(O)CO)cc1C(C)(C)C
InChIInChI=1S/C15H25NO3/c1-15(2,3)13-7-11(5-6-14(13)19-4)8-16-9-12(18)10-17/h5-7,12,16-18H,8-10H2,1-4H3
InChIKeyNHRLNOLDWVXSBN-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.44
Rot. Bonds6

About 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol

3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol (PubChem CID 115122088) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol
PubChem CID115122088
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol
SMILESCOc1ccc(CNCC(O)CO)cc1C(C)(C)C
InChIInChI=1S/C15H25NO3/c1-15(2,3)13-7-11(5-6-14(13)19-4)8-16-9-12(18)10-17/h5-7,12,16-18H,8-10H2,1-4H3
InChIKeyNHRLNOLDWVXSBN-UHFFFAOYSA-N
XLogP1.44
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol 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

1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
CID 66175454
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224842
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
(2S)-1-(4-tert-butyl-2-methylphenoxy)-3-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol
CID 2441770
2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
CID 96676289
1-[(3-bromo-4-methoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119209
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
3-[(4-methoxy-3,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122151
3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
5-(3-tert-butyl-4-methoxyphenyl)pentane-2,3-diol
CID 83936813

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol (CID 115122088) is 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol is COc1ccc(CNCC(O)CO)cc1C(C)(C)C.
What is the InChIKey of 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol?
The InChIKey is NHRLNOLDWVXSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)13-7-11(5-6-14(13)19-4)8-16-9-12(18)10-17/h5-7,12,16-18H,8-10H2,1-4H3.
What are the key properties of 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol?
3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol has a molecular weight of 267.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 115122088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).