4-amino-1-naphthalen-1-yloxybutan-2-ol

C14H17NO2 — CID 86215876

IUPAC4-amino-1-naphthalen-1-yloxybutan-2-ol
SMILESNCCC(O)COc1cccc2ccccc12
InChIInChI=1S/C14H17NO2/c15-9-8-12(16)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,16H,8-10,15H2
InChIKeyLVFKCUIDAJFWBY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.93
Rot. Bonds5

About 4-amino-1-naphthalen-1-yloxybutan-2-ol

4-amino-1-naphthalen-1-yloxybutan-2-ol (PubChem CID 86215876) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-1-naphthalen-1-yloxybutan-2-ol.

Molecular Properties

Compound Name4-amino-1-naphthalen-1-yloxybutan-2-ol
PubChem CID86215876
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-amino-1-naphthalen-1-yloxybutan-2-ol
SMILESNCCC(O)COc1cccc2ccccc12
InChIInChI=1S/C14H17NO2/c15-9-8-12(16)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,16H,8-10,15H2
InChIKeyLVFKCUIDAJFWBY-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
CID 43834240
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
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-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7385672
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol
CID 102321600

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-naphthalen-1-yloxybutan-2-ol?
The IUPAC name of 4-amino-1-naphthalen-1-yloxybutan-2-ol (CID 86215876) is 4-amino-1-naphthalen-1-yloxybutan-2-ol.
What is the SMILES notation for 4-amino-1-naphthalen-1-yloxybutan-2-ol?
The canonical SMILES for 4-amino-1-naphthalen-1-yloxybutan-2-ol is NCCC(O)COc1cccc2ccccc12.
What is the InChIKey of 4-amino-1-naphthalen-1-yloxybutan-2-ol?
The InChIKey is LVFKCUIDAJFWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c15-9-8-12(16)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,16H,8-10,15H2.
What are the key properties of 4-amino-1-naphthalen-1-yloxybutan-2-ol?
4-amino-1-naphthalen-1-yloxybutan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-naphthalen-1-yloxybutan-2-ol is sourced from PubChem (CID 86215876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).