3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol

C16H21NO2 — CID 64803525

IUPAC3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)COc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO2/c1-12(2)17-15(10-18)11-19-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15,17-18H,10-11H2,1-2H3
InChIKeyTWSMGWBUKOHAFX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds6

About 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol

3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64803525) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol
PubChem CID64803525
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)COc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO2/c1-12(2)17-15(10-18)11-19-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15,17-18H,10-11H2,1-2H3
InChIKeyTWSMGWBUKOHAFX-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yloxypropan-2-ol
CID 2793897
N-methyl-1-naphthalen-2-yloxybutan-2-amine
CID 62041246
N,N-dimethyl-1-naphthalen-2-yloxypropan-2-amine
CID 4189894
2-(2-methoxypropoxy)naphthalene
CID 155439775
N,2-dimethyl-3-naphthalen-2-yloxypropan-1-amine
CID 62459950
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-phenoxy-N-propan-2-ylbutan-2-amine
CID 115905778
2-[2-(4-methoxyphenoxy)propoxy]naphthalene
CID 86155874
2-[2-(bromomethyl)-3-methylbutoxy]naphthalene
CID 65012394
3-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64804810
2-[[(2S)-1-naphthalen-2-yloxypropan-2-yl]amino]-1-pyrrol-1-ylethanone
CID 141089093
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol (CID 64803525) is 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)COc1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is TWSMGWBUKOHAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)17-15(10-18)11-19-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15,17-18H,10-11H2,1-2H3.
What are the key properties of 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol?
3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64803525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).