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

C21H23Cl2NO2 — CID 138960501

IUPAC1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1cccc2ccccc12)c1cccc(Cl)c1.Cl
InChIInChI=1S/C21H22ClNO2.ClH/c1-15(17-8-4-9-18(22)12-17)23-13-19(24)14-25-21-11-5-7-16-6-2-3-10-20(16)21;/h2-12,15,19,23-24H,13-14H2,1H3;1H
InChIKeyWCBQKICJYGRYDM-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.01
Rot. Bonds7

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

1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (PubChem CID 138960501) has the molecular formula C21H23Cl2NO2 and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
PubChem CID138960501
Molecular FormulaC21H23Cl2NO2
Molecular Weight392.33 g/mol
Exact Mass391.11
IUPAC Name1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1cccc2ccccc12)c1cccc(Cl)c1.Cl
InChIInChI=1S/C21H22ClNO2.ClH/c1-15(17-8-4-9-18(22)12-17)23-13-19(24)14-25-21-11-5-7-16-6-2-3-10-20(16)21;/h2-12,15,19,23-24H,13-14H2,1H3;1H
InChIKeyWCBQKICJYGRYDM-UHFFFAOYSA-N
XLogP5.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
1-[1-(3-chlorophenyl)ethylamino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 138960452
1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138960420
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (CID 138960501) is 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is CC(NCC(O)COc1cccc2ccccc12)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The InChIKey is WCBQKICJYGRYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2.ClH/c1-15(17-8-4-9-18(22)12-17)23-13-19(24)14-25-21-11-5-7-16-6-2-3-10-20(16)21;/h2-12,15,19,23-24H,13-14H2,1H3;1H.
What are the key properties of 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride has a molecular weight of 392.33 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 138960501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).