1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol

C23H27NO3 — CID 86942993

IUPAC1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESOCCN(CCc1ccccc1)CC(O)COc1cccc2ccccc12
InChIInChI=1S/C23H27NO3/c25-16-15-24(14-13-19-7-2-1-3-8-19)17-21(26)18-27-23-12-6-10-20-9-4-5-11-22(20)23/h1-12,21,25-26H,13-18H2
InChIKeyPOWZGJGCTUJLJX-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.12
Rot. Bonds10

About 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol

1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 86942993) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID86942993
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol
SMILESOCCN(CCc1ccccc1)CC(O)COc1cccc2ccccc12
InChIInChI=1S/C23H27NO3/c25-16-15-24(14-13-19-7-2-1-3-8-19)17-21(26)18-27-23-12-6-10-20-9-4-5-11-22(20)23/h1-12,21,25-26H,13-18H2
InChIKeyPOWZGJGCTUJLJX-UHFFFAOYSA-N
XLogP3.12
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol
CID 138959459
1-[bis(2-hydroxyethyl)amino]-3-(1-bromonaphthalen-2-yl)oxypropan-2-ol
CID 3525630
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840949
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2,3-dimethylphenoxy)propan-2-ol
CID 27332155
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butylphenoxy)propan-2-ol
CID 30050572
1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butylphenoxy)propan-2-ol chloride
CID 21237867
1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea
CID 52521276
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol (CID 86942993) is 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol is OCCN(CCc1ccccc1)CC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is POWZGJGCTUJLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-16-15-24(14-13-19-7-2-1-3-8-19)17-21(26)18-27-23-12-6-10-20-9-4-5-11-22(20)23/h1-12,21,25-26H,13-18H2.
What are the key properties of 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol?
1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 365.47 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 86942993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).