1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C19H27Cl2NO3 — CID 172990289

IUPAC1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COC(CCl)COc1cccc2ccccc12.Cl
InChIInChI=1S/C19H26ClNO3.ClH/c1-14(2)21-11-16(22)12-23-17(10-20)13-24-19-9-5-7-15-6-3-4-8-18(15)19;/h3-9,14,16-17,21-22H,10-13H2,1-2H3;1H
InChIKeyOIFHNMPNRHOPLH-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.62
Rot. Bonds10

About 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 172990289) has the molecular formula C19H27Cl2NO3 and a molecular weight of 388.34 g/mol. Its IUPAC name is 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID172990289
Molecular FormulaC19H27Cl2NO3
Molecular Weight388.34 g/mol
Exact Mass387.14
IUPAC Name1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COC(CCl)COc1cccc2ccccc12.Cl
InChIInChI=1S/C19H26ClNO3.ClH/c1-14(2)21-11-16(22)12-23-17(10-20)13-24-19-9-5-7-15-6-3-4-8-18(15)19;/h3-9,14,16-17,21-22H,10-13H2,1-2H3;1H
InChIKeyOIFHNMPNRHOPLH-UHFFFAOYSA-N
XLogP3.62
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
2-hydroperoxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine;hydrochloride
CID 90469824
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501
[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 11077480
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] hydrogen sulfate
CID 14647133

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 172990289) is 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COC(CCl)COc1cccc2ccccc12.Cl.
What is the InChIKey of 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is OIFHNMPNRHOPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO3.ClH/c1-14(2)21-11-16(22)12-23-17(10-20)13-24-19-9-5-7-15-6-3-4-8-18(15)19;/h3-9,14,16-17,21-22H,10-13H2,1-2H3;1H.
What are the key properties of 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 172990289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).