1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol

C15H20N2O2 — CID 70482185

IUPAC1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(N)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(16)17-9-13(18)10-19-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,11,13,17-18H,9-10,16H2,1H3
InChIKeyVGOKOIPAEDOTBD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.47
Rot. Bonds6

About 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol

1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 70482185) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID70482185
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCC(N)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(16)17-9-13(18)10-19-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,11,13,17-18H,9-10,16H2,1H3
InChIKeyVGOKOIPAEDOTBD-UHFFFAOYSA-N
XLogP1.47
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(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
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
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-(2-aminoethyl)benzene-1,2-diol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 67675479
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol (CID 70482185) is 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol is CC(N)NCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is VGOKOIPAEDOTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(16)17-9-13(18)10-19-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,11,13,17-18H,9-10,16H2,1H3.
What are the key properties of 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol?
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 70482185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).