1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride

C22H32ClNO2 — CID 138958903

IUPAC1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
SMILESCCc1ccc(C(C)NCC(O)COC(CC)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H31NO2.ClH/c1-4-18-11-13-19(14-12-18)17(3)23-15-21(24)16-25-22(5-2)20-9-7-6-8-10-20;/h6-14,17,21-24H,4-5,15-16H2,1-3H3;1H
InChIKeyUZNQTXLIXBQTLB-UHFFFAOYSA-N
MW377.96 g/mol
LogP4.85
Rot. Bonds10

About 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride

1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride (PubChem CID 138958903) has the molecular formula C22H32ClNO2 and a molecular weight of 377.96 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
PubChem CID138958903
Molecular FormulaC22H32ClNO2
Molecular Weight377.96 g/mol
Exact Mass377.21
IUPAC Name1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
SMILESCCc1ccc(C(C)NCC(O)COC(CC)c2ccccc2)cc1.Cl
InChIInChI=1S/C22H31NO2.ClH/c1-4-18-11-13-19(14-12-18)17(3)23-15-21(24)16-25-22(5-2)20-9-7-6-8-10-20;/h6-14,17,21-24H,4-5,15-16H2,1-3H3;1H
InChIKeyUZNQTXLIXBQTLB-UHFFFAOYSA-N
XLogP4.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.96
LogP ≤ 54.85
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-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899
1-[1-(4-ethylphenyl)ethylamino]-3-(4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138958832
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
(2S)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7934702
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
3-(1-phenylpropoxy)propane-1,2-diol
CID 134964704
1-(4-chloro-2-methylphenoxy)-3-[1-(4-ethylphenyl)ethylamino]propan-2-ol;hydrochloride
CID 138958863
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride (CID 138958903) is 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride is CCc1ccc(C(C)NCC(O)COC(CC)c2ccccc2)cc1.Cl.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride?
The InChIKey is UZNQTXLIXBQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2.ClH/c1-4-18-11-13-19(14-12-18)17(3)23-15-21(24)16-25-22(5-2)20-9-7-6-8-10-20;/h6-14,17,21-24H,4-5,15-16H2,1-3H3;1H.
What are the key properties of 1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride?
1-[1-(4-ethylphenyl)ethylamino]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride has a molecular weight of 377.96 g/mol, XLogP of 4.85, 10 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-(1-phenylpropoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138958903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).