1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol

C21H23NO3 — CID 138959459

IUPAC1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol
SMILESOCCN(CC(O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-14-13-22(18-9-2-1-3-10-18)15-19(24)16-25-21-12-6-8-17-7-4-5-11-20(17)21/h1-12,19,23-24H,13-16H2
InChIKeyZRGPGFSGIOZFQU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.08
Rot. Bonds8

About 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol

1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 138959459) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID138959459
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol
SMILESOCCN(CC(O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-14-13-22(18-9-2-1-3-10-18)15-19(24)16-25-21-12-6-8-17-7-4-5-11-20(17)21/h1-12,19,23-24H,13-16H2
InChIKeyZRGPGFSGIOZFQU-UHFFFAOYSA-N
XLogP3.08
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 86942993
1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol
CID 138959387
1-[N-(2-hydroxyethyl)anilino]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959384
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
1-[bis(2-hydroxyethyl)amino]-3-(1-bromonaphthalen-2-yl)oxypropan-2-ol
CID 3525630
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-methylamino]acetonitrile
CID 110929665
1-[4-[2-hydroxy-3-[N-(2-hydroxyethyl)anilino]propoxy]phenyl]propan-1-one;hydrochloride
CID 138959431
(2S)-1-[2-methylsulfanylethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 54556253
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylamino]acetonitrile
CID 110929469
benzene;naphthalen-1-yloxymethanol
CID 70447137

Frequently Asked Questions

What is the IUPAC name of 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol (CID 138959459) is 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol is OCCN(CC(O)COc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is ZRGPGFSGIOZFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-14-13-22(18-9-2-1-3-10-18)15-19(24)16-25-21-12-6-8-17-7-4-5-11-20(17)21/h1-12,19,23-24H,13-16H2.
What are the key properties of 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol?
1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 337.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 138959459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).