1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride

C18H32ClNO3 — CID 2770265

IUPAC1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)CNC(C)(C)CC(C)(C)C)c1.Cl
InChIInChI=1S/C18H31NO3.ClH/c1-17(2,3)13-18(4,5)19-11-14(20)12-22-16-9-7-8-15(10-16)21-6;/h7-10,14,19-20H,11-13H2,1-6H3;1H
InChIKeyVIYNDDFEKHHBSA-UHFFFAOYSA-N
MW345.91 g/mol
LogP3.66
Rot. Bonds8

About 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride

1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 2770265) has the molecular formula C18H32ClNO3 and a molecular weight of 345.91 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID2770265
Molecular FormulaC18H32ClNO3
Molecular Weight345.91 g/mol
Exact Mass345.21
IUPAC Name1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)CNC(C)(C)CC(C)(C)C)c1.Cl
InChIInChI=1S/C18H31NO3.ClH/c1-17(2,3)13-18(4,5)19-11-14(20)12-22-16-9-7-8-15(10-16)21-6;/h7-10,14,19-20H,11-13H2,1-6H3;1H
InChIKeyVIYNDDFEKHHBSA-UHFFFAOYSA-N
XLogP3.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2S)-2-hydroxy-3-(2,4,4-trimethylpentan-2-ylamino)propoxy]phenyl]ethanone
CID 26002455
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
1-(3,5-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol chloride
CID 21237849
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480
1-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylbutan-2-ol
CID 65111868
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
1-(3-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964669
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
1-[4-[2-hydroxy-3-(2,4,4-trimethylpentan-2-ylamino)propoxy]phenyl]ethanone
CID 3417444

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride (CID 2770265) is 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride is COc1cccc(OCC(O)CNC(C)(C)CC(C)(C)C)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is VIYNDDFEKHHBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3.ClH/c1-17(2,3)13-18(4,5)19-11-14(20)12-22-16-9-7-8-15(10-16)21-6;/h7-10,14,19-20H,11-13H2,1-6H3;1H.
What are the key properties of 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride?
1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2770265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).