1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride

C23H28ClNO2 — CID 138958899

IUPAC1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCCc1ccc(C(C)NCC(O)COc2cccc3ccccc23)cc1.Cl
InChIInChI=1S/C23H27NO2.ClH/c1-3-18-11-13-19(14-12-18)17(2)24-15-21(25)16-26-23-10-6-8-20-7-4-5-9-22(20)23;/h4-14,17,21,24-25H,3,15-16H2,1-2H3;1H
InChIKeyHPYSFGVGBQXAQP-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.91
Rot. Bonds8

About 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride

1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (PubChem CID 138958899) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
PubChem CID138958899
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC Name1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCCc1ccc(C(C)NCC(O)COc2cccc3ccccc23)cc1.Cl
InChIInChI=1S/C23H27NO2.ClH/c1-3-18-11-13-19(14-12-18)17(2)24-15-21(25)16-26-23-10-6-8-20-7-4-5-9-22(20)23;/h4-14,17,21,24-25H,3,15-16H2,1-2H3;1H
InChIKeyHPYSFGVGBQXAQP-UHFFFAOYSA-N
XLogP4.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961157
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-[1-(4-ethylphenyl)ethylamino]-3-(4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138958832
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (CID 138958899) is 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is CCc1ccc(C(C)NCC(O)COc2cccc3ccccc23)cc1.Cl.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The InChIKey is HPYSFGVGBQXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2.ClH/c1-3-18-11-13-19(14-12-18)17(2)24-15-21(25)16-26-23-10-6-8-20-7-4-5-9-22(20)23;/h4-14,17,21,24-25H,3,15-16H2,1-2H3;1H.
What are the key properties of 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 138958899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).