1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol

C17H29NO3 — CID 65038779

IUPAC1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCCC(CC)(CC)NCC(O)COc1ccccc1OC
InChIInChI=1S/C17H29NO3/c1-5-17(6-2,7-3)18-12-14(19)13-21-16-11-9-8-10-15(16)20-4/h8-11,14,18-19H,5-7,12-13H2,1-4H3
InChIKeyBUOHKSMAFLFEKQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.99
Rot. Bonds10

About 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol

1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 65038779) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID65038779
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCCC(CC)(CC)NCC(O)COc1ccccc1OC
InChIInChI=1S/C17H29NO3/c1-5-17(6-2,7-3)18-12-14(19)13-21-16-11-9-8-10-15(16)20-4/h8-11,14,18-19H,5-7,12-13H2,1-4H3
InChIKeyBUOHKSMAFLFEKQ-UHFFFAOYSA-N
XLogP2.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
1-(2-methoxyphenoxy)-3-[(1-methylcyclopropyl)amino]propan-2-ol
CID 113485421
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 18646864
N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
CID 67865663
1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol (CID 65038779) is 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol is CCC(CC)(CC)NCC(O)COc1ccccc1OC.
What is the InChIKey of 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is BUOHKSMAFLFEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-17(6-2,7-3)18-12-14(19)13-21-16-11-9-8-10-15(16)20-4/h8-11,14,18-19H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol?
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 65038779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).