(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride

C16H24Cl2N2O2 — CID 18599940

IUPAC(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
SMILESC[C@H](CN)NC[C@@H](O)COc1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H22N2O2.2ClH/c1-12(9-17)18-10-14(19)11-20-16-8-4-6-13-5-2-3-7-15(13)16;;/h2-8,12,14,18-19H,9-11,17H2,1H3;2*1H/t12-,14-;;/m1../s1
InChIKeyLXMWQCJHLRAXBQ-OJNIYTAOSA-N
MW347.29 g/mol
LogP2.36
Rot. Bonds7

About (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride

(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride (PubChem CID 18599940) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
PubChem CID18599940
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
SMILESC[C@H](CN)NC[C@@H](O)COc1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H22N2O2.2ClH/c1-12(9-17)18-10-14(19)11-20-16-8-4-6-13-5-2-3-7-15(13)16;;/h2-8,12,14,18-19H,9-11,17H2,1H3;2*1H/t12-,14-;;/m1../s1
InChIKeyLXMWQCJHLRAXBQ-OJNIYTAOSA-N
XLogP2.36
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride with MolForge

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Related Compounds

(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
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
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 134211273
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172990289

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride?
The IUPAC name of (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride (CID 18599940) is (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride.
What is the SMILES notation for (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride?
The canonical SMILES for (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride is C[C@H](CN)NC[C@@H](O)COc1cccc2ccccc12.Cl.Cl.
What is the InChIKey of (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride?
The InChIKey is LXMWQCJHLRAXBQ-OJNIYTAOSA-N. The full InChI is InChI=1S/C16H22N2O2.2ClH/c1-12(9-17)18-10-14(19)11-20-16-8-4-6-13-5-2-3-7-15(13)16;;/h2-8,12,14,18-19H,9-11,17H2,1H3;2*1H/t12-,14-;;/m1../s1.
What are the key properties of (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride?
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 18599940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).