1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol

C19H25NO3 — CID 138959387

IUPAC1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN(CCO)c2ccccc2)c1
InChIInChI=1S/C19H25NO3/c1-15-8-9-16(2)19(12-15)23-14-18(22)13-20(10-11-21)17-6-4-3-5-7-17/h3-9,12,18,21-22H,10-11,13-14H2,1-2H3
InChIKeyBEALBGQQLAFYTL-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.54
Rot. Bonds8

About 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol

1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol (PubChem CID 138959387) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol
PubChem CID138959387
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN(CCO)c2ccccc2)c1
InChIInChI=1S/C19H25NO3/c1-15-8-9-16(2)19(12-15)23-14-18(22)13-20(10-11-21)17-6-4-3-5-7-17/h3-9,12,18,21-22H,10-11,13-14H2,1-2H3
InChIKeyBEALBGQQLAFYTL-UHFFFAOYSA-N
XLogP2.54
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[N-(2-hydroxyethyl)anilino]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959384
1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol
CID 138959459
1-[2,2-difluoroethyl(methyl)amino]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 110936024
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-[benzyl(2-hydroxyethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 2770333
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
1-[4-[2-hydroxy-3-[N-(2-hydroxyethyl)anilino]propoxy]phenyl]propan-1-one;hydrochloride
CID 138959431
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butyl-4-methylphenoxy)propan-2-ol
CID 34887004
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol (CID 138959387) is 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol is Cc1ccc(C)c(OCC(O)CN(CCO)c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol?
The InChIKey is BEALBGQQLAFYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15-8-9-16(2)19(12-15)23-14-18(22)13-20(10-11-21)17-6-4-3-5-7-17/h3-9,12,18,21-22H,10-11,13-14H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol?
1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol has a molecular weight of 315.41 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-[N-(2-hydroxyethyl)anilino]propan-2-ol is sourced from PubChem (CID 138959387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).