2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol

C16H27NO4 — CID 62518668

IUPAC2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
SMILESCCC(CC)(CO)NCC(O)COc1cccc(OC)c1
InChIInChI=1S/C16H27NO4/c1-4-16(5-2,12-18)17-10-13(19)11-21-15-8-6-7-14(9-15)20-3/h6-9,13,17-19H,4-5,10-12H2,1-3H3
InChIKeyNZXKXQCAHMVPHK-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.58
Rot. Bonds10

About 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol

2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol (PubChem CID 62518668) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
PubChem CID62518668
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
SMILESCCC(CC)(CO)NCC(O)COc1cccc(OC)c1
InChIInChI=1S/C16H27NO4/c1-4-16(5-2,12-18)17-10-13(19)11-21-15-8-6-7-14(9-15)20-3/h6-9,13,17-19H,4-5,10-12H2,1-3H3
InChIKeyNZXKXQCAHMVPHK-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

Analyze 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride
CID 2770265
3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
CID 65111897
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
2-[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-ethylpropane-1,3-diol
CID 103601368
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol (CID 62518668) is 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol is CCC(CC)(CO)NCC(O)COc1cccc(OC)c1.
What is the InChIKey of 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol?
The InChIKey is NZXKXQCAHMVPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-4-16(5-2,12-18)17-10-13(19)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 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol?
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-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 2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol is sourced from PubChem (CID 62518668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).