1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol

C15H25NO2 — CID 113253719

IUPAC1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
SMILESCCC(C)(CC)NCC(O)COc1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-15(3,5-2)16-11-13(17)12-18-14-9-7-6-8-10-14/h6-10,13,16-17H,4-5,11-12H2,1-3H3
InChIKeyKSENHJZNQZOZEM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.59
Rot. Bonds8

About 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol

1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol (PubChem CID 113253719) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
PubChem CID113253719
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
SMILESCCC(C)(CC)NCC(O)COc1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-15(3,5-2)16-11-13(17)12-18-14-9-7-6-8-10-14/h6-10,13,16-17H,4-5,11-12H2,1-3H3
InChIKeyKSENHJZNQZOZEM-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 106175670
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol (CID 113253719) is 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol is CCC(C)(CC)NCC(O)COc1ccccc1.
What is the InChIKey of 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol?
The InChIKey is KSENHJZNQZOZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-15(3,5-2)16-11-13(17)12-18-14-9-7-6-8-10-14/h6-10,13,16-17H,4-5,11-12H2,1-3H3.
What are the key properties of 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol?
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 113253719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).