1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol

C16H27NO3 — CID 61463357

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
SMILESCCC(C)C(C)NCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO3/c1-6-11(2)12(3)17-10-15(18)14-9-13(19-4)7-8-16(14)20-5/h7-9,11-12,15,17-18H,6,10H2,1-5H3
InChIKeyGJFBMVAYUQJPBP-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol

1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol (PubChem CID 61463357) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
PubChem CID61463357
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
SMILESCCC(C)C(C)NCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO3/c1-6-11(2)12(3)17-10-15(18)14-9-13(19-4)7-8-16(14)20-5/h7-9,11-12,15,17-18H,6,10H2,1-5H3
InChIKeyGJFBMVAYUQJPBP-UHFFFAOYSA-N
XLogP2.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol
CID 65136288
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol
CID 110010175
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol (CID 61463357) is 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol is CCC(C)C(C)NCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol?
The InChIKey is GJFBMVAYUQJPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-11(2)12(3)17-10-15(18)14-9-13(19-4)7-8-16(14)20-5/h7-9,11-12,15,17-18H,6,10H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol?
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol has a molecular weight of 281.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol is sourced from PubChem (CID 61463357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).