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

C21H22ClNO2 — CID 138960502

IUPAC1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(NCC(O)COc1cccc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H22ClNO2/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
InChIKeyJSKCAIKMWSTAPX-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.58
Rot. Bonds7

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

1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 138960502) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID138960502
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(NCC(O)COc1cccc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H22ClNO2/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
InChIKeyJSKCAIKMWSTAPX-UHFFFAOYSA-N
XLogP4.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.58
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;hydrochloride
CID 138960501
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
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
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
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 138960435
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol (CID 138960502) is 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol is CC(NCC(O)COc1cccc2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is JSKCAIKMWSTAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/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.
What are the key properties of 1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol?
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 355.87 g/mol, XLogP of 4.58, 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 is sourced from PubChem (CID 138960502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).