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

C16H22N2O2 — CID 18599941

IUPAC(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESC[C@H](CN)NC[C@@H](O)COc1cccc2ccccc12
InChIInChI=1S/C16H22N2O2/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/t12-,14-/m1/s1
InChIKeyPOOXQOFPSBGVIO-TZMCWYRMSA-N
MW274.36 g/mol
LogP1.52
Rot. Bonds7

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

(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 18599941) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID18599941
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESC[C@H](CN)NC[C@@H](O)COc1cccc2ccccc12
InChIInChI=1S/C16H22N2O2/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/t12-,14-/m1/s1
InChIKeyPOOXQOFPSBGVIO-TZMCWYRMSA-N
XLogP1.52
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

(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-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
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
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 134211273
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
4-(2-aminoethyl)benzene-1,2-diol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 67675479
4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide
CID 54400739

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol (CID 18599941) is (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol is C[C@H](CN)NC[C@@H](O)COc1cccc2ccccc12.
What is the InChIKey of (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is POOXQOFPSBGVIO-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22N2O2/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/t12-,14-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol?
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 1.52, 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 is sourced from PubChem (CID 18599941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).