[4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate

C17H19NO3 — CID 175114702

IUPAC[4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)Oc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-13(19)17(20)21-16-9-7-15(8-10-16)18-12-11-14-5-3-2-4-6-14/h2-10,13,18-19H,11-12H2,1H3/t13-/m0/s1
InChIKeyOVSQIBSMVAEIAG-ZDUSSCGKSA-N
MW285.34 g/mol
LogP2.63
Rot. Bonds6

About [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate

[4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate (PubChem CID 175114702) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name[4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate
PubChem CID175114702
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)Oc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-13(19)17(20)21-16-9-7-15(8-10-16)18-12-11-14-5-3-2-4-6-14/h2-10,13,18-19H,11-12H2,1H3/t13-/m0/s1
InChIKeyOVSQIBSMVAEIAG-ZDUSSCGKSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
CID 66675261
ethane;N-(2-phenylethyl)aniline
CID 91194556
ethyl 3-methyl-2-[4-[2-(4-phenylmethoxyphenyl)ethylamino]phenyl]sulfanylbutanoate
CID 58816031
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
CID 54820433
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate?
The IUPAC name of [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate (CID 175114702) is [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate.
What is the SMILES notation for [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate?
The canonical SMILES for [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate is C[C@H](O)C(=O)Oc1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate?
The InChIKey is OVSQIBSMVAEIAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(19)17(20)21-16-9-7-15(8-10-16)18-12-11-14-5-3-2-4-6-14/h2-10,13,18-19H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate?
[4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate has a molecular weight of 285.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethylamino)phenyl] (2S)-2-hydroxypropanoate is sourced from PubChem (CID 175114702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).