[(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium

C16H21N2O+ — CID 7219591

IUPAC[(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium
SMILESC[NH2+]C[C@H](O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-17-12-16(19)13-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,19H,12-13H2,1H3/p+1/t16-/m0/s1
InChIKeyYENJFIYRYULCHU-INIZCTEOSA-O
MW257.36 g/mol
LogP1.38
Rot. Bonds6

About [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium

[(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium (PubChem CID 7219591) has the molecular formula C16H21N2O+ and a molecular weight of 257.36 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium
PubChem CID7219591
Molecular FormulaC16H21N2O+
Molecular Weight257.36 g/mol
Exact Mass257.16
IUPAC Name[(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium
SMILESC[NH2+]C[C@H](O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-17-12-16(19)13-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,19H,12-13H2,1H3/p+1/t16-/m0/s1
InChIKeyYENJFIYRYULCHU-INIZCTEOSA-O
XLogP1.38
TPSA40.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)aniline
CID 31235
2-(N-ethylanilino)ethanol
CID 62338
Disperse Black 9
CID 88669
2-(N-Methylanilino)ethanol
CID 62340
2-Propanol, 1,1'-(phenylimino)bis-
CID 76498
3-(Diphenylamino)propane-1,2-diol
CID 2836165
Hydroxypropyl bis(N-hydroxyethyl-p-phenylenediamine) hydrochloride
CID 21932462
2-(4-Amino-N-ethylanilino)ethanol
CID 66713
1-Methoxy-3-phenylamino-propan-2-ol
CID 3144953
CID 16192643
CID 16192643
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
1-Propanaminium, 3-(diphenylamino)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-, iodide, (+-)-
CID 3064865

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium?
The IUPAC name of [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium (CID 7219591) is [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium.
What is the SMILES notation for [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium?
The canonical SMILES for [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium is C[NH2+]C[C@H](O)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium?
The InChIKey is YENJFIYRYULCHU-INIZCTEOSA-O. The full InChI is InChI=1S/C16H20N2O/c1-17-12-16(19)13-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,19H,12-13H2,1H3/p+1/t16-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium?
[(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium has a molecular weight of 257.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium is sourced from PubChem (CID 7219591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).