1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol

C15H25NO3 — CID 63055789

IUPAC1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1ccc(CNC(C)(C)C)cc1OCC(C)O
InChIInChI=1S/C15H25NO3/c1-11(17)10-19-14-8-12(6-7-13(14)18-5)9-16-15(2,3)4/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyIROORVAVNNOXDW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds6

About 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol

1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol (PubChem CID 63055789) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
PubChem CID63055789
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1ccc(CNC(C)(C)C)cc1OCC(C)O
InChIInChI=1S/C15H25NO3/c1-11(17)10-19-14-8-12(6-7-13(14)18-5)9-16-15(2,3)4/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyIROORVAVNNOXDW-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
1-(tert-butylamino)-3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol;oxalic acid
CID 24905848
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
CID 63326862
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol
CID 110878918
N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 106929288

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The IUPAC name of 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol (CID 63055789) is 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol is COc1ccc(CNC(C)(C)C)cc1OCC(C)O.
What is the InChIKey of 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The InChIKey is IROORVAVNNOXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(17)10-19-14-8-12(6-7-13(14)18-5)9-16-15(2,3)4/h6-8,11,16-17H,9-10H2,1-5H3.
What are the key properties of 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 63055789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).