(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol

C16H19NO2 — CID 10934135

IUPAC(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
SMILESCN(C[C@H](O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-17(14-8-4-2-5-9-14)12-15(18)13-19-16-10-6-3-7-11-16/h2-11,15,18H,12-13H2,1H3/t15-/m0/s1
InChIKeyFFBZCPIPFCOFOW-HNNXBMFYSA-N
MW257.33 g/mol
LogP2.56
Rot. Bonds6

About (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol

(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol (PubChem CID 10934135) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
PubChem CID10934135
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
SMILESCN(C[C@H](O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-17(14-8-4-2-5-9-14)12-15(18)13-19-16-10-6-3-7-11-16/h2-11,15,18H,12-13H2,1H3/t15-/m0/s1
InChIKeyFFBZCPIPFCOFOW-HNNXBMFYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
CID 98787204
1-(N-methylanilino)-3-(4-nitrophenoxy)propan-2-ol
CID 5000056
1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
CID 43364477
(2S)-1-[4-[bis[(2R)-2-hydroxy-3-phenoxypropyl]amino]-N-[(2S)-2-hydroxy-3-phenoxypropyl]anilino]-3-phenoxypropan-2-ol
CID 99654291
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
N-methyl-N-(phenoxymethyl)aniline
CID 20818319
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol (CID 10934135) is (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol is CN(C[C@H](O)COc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol?
The InChIKey is FFBZCPIPFCOFOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(14-8-4-2-5-9-14)12-15(18)13-19-16-10-6-3-7-11-16/h2-11,15,18H,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol?
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 10934135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).