3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol

C16H27NO3 — CID 106175193

IUPAC3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)COCc1ccccc1
InChIInChI=1S/C16H27NO3/c1-3-16(2,9-10-18)17-11-15(19)13-20-12-14-7-5-4-6-8-14/h4-8,15,17-19H,3,9-13H2,1-2H3
InChIKeyNQTCNUGCXUPEMW-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.70
Rot. Bonds10

About 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol

3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol (PubChem CID 106175193) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
PubChem CID106175193
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(O)COCc1ccccc1
InChIInChI=1S/C16H27NO3/c1-3-16(2,9-10-18)17-11-15(19)13-20-12-14-7-5-4-6-8-14/h4-8,15,17-19H,3,9-13H2,1-2H3
InChIKeyNQTCNUGCXUPEMW-UHFFFAOYSA-N
XLogP1.70
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 103950075
2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
CID 79788909
benzyl 3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanoate
CID 106175564
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 106175670
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828812
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol (CID 106175193) is 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)NCC(O)COCc1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol?
The InChIKey is NQTCNUGCXUPEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-16(2,9-10-18)17-11-15(19)13-20-12-14-7-5-4-6-8-14/h4-8,15,17-19H,3,9-13H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol?
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.70, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106175193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).