3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol

C16H27NO4 — CID 65111897

IUPAC3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COc1cccc(OC)c1
InChIInChI=1S/C16H27NO4/c1-4-16(19,5-2)12-17-10-13(18)11-21-15-8-6-7-14(9-15)20-3/h6-9,13,17-19H,4-5,10-12H2,1-3H3
InChIKeyPLCDQBAQZQKGCQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.58
Rot. Bonds10

About 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol

3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol (PubChem CID 65111897) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
PubChem CID65111897
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COc1cccc(OC)c1
InChIInChI=1S/C16H27NO4/c1-4-16(19,5-2)12-17-10-13(18)11-21-15-8-6-7-14(9-15)20-3/h6-9,13,17-19H,4-5,10-12H2,1-3H3
InChIKeyPLCDQBAQZQKGCQ-UHFFFAOYSA-N
XLogP1.58
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111894
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
1-(3-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964669
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 62338062
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 115454816
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol (CID 65111897) is 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNCC(O)COc1cccc(OC)c1.
What is the InChIKey of 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol?
The InChIKey is PLCDQBAQZQKGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-4-16(19,5-2)12-17-10-13(18)11-21-15-8-6-7-14(9-15)20-3/h6-9,13,17-19H,4-5,10-12H2,1-3H3.
What are the key properties of 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol?
3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol has a molecular weight of 297.40 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 65111897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).