1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol

C15H25NO3 — CID 106940105

IUPAC1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
SMILESCCC(C)(N)COCC(O)COCc1ccccc1
InChIInChI=1S/C15H25NO3/c1-3-15(2,16)12-19-11-14(17)10-18-9-13-7-5-4-6-8-13/h4-8,14,17H,3,9-12,16H2,1-2H3
InChIKeyNARGSMJLOHAVEQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.71
Rot. Bonds9

About 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol

1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol (PubChem CID 106940105) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
PubChem CID106940105
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
SMILESCCC(C)(N)COCC(O)COCc1ccccc1
InChIInChI=1S/C15H25NO3/c1-3-15(2,16)12-19-11-14(17)10-18-9-13-7-5-4-6-8-13/h4-8,14,17H,3,9-12,16H2,1-2H3
InChIKeyNARGSMJLOHAVEQ-UHFFFAOYSA-N
XLogP1.71
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
CID 79788909
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
CID 172760983
CID 172760983
(2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine
CID 102123059
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
2-tert-butyl-4-hydroxy-5-phenylmethoxypentanoic acid
CID 83139665

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol (CID 106940105) is 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol is CCC(C)(N)COCC(O)COCc1ccccc1.
What is the InChIKey of 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol?
The InChIKey is NARGSMJLOHAVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-15(2,16)12-19-11-14(17)10-18-9-13-7-5-4-6-8-13/h4-8,14,17H,3,9-12,16H2,1-2H3.
What are the key properties of 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol?
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 106940105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).