2-(2-amino-4-bromoanilino)-1-phenylethanol

C14H15BrN2O — CID 43498872

IUPAC2-(2-amino-4-bromoanilino)-1-phenylethanol
SMILESNc1cc(Br)ccc1NCC(O)c1ccccc1
InChIInChI=1S/C14H15BrN2O/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9,16H2
InChIKeyRAUHEEHVFZDMGN-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-amino-4-bromoanilino)-1-phenylethanol

2-(2-amino-4-bromoanilino)-1-phenylethanol (PubChem CID 43498872) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(2-amino-4-bromoanilino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-amino-4-bromoanilino)-1-phenylethanol
PubChem CID43498872
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(2-amino-4-bromoanilino)-1-phenylethanol
SMILESNc1cc(Br)ccc1NCC(O)c1ccccc1
InChIInChI=1S/C14H15BrN2O/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9,16H2
InChIKeyRAUHEEHVFZDMGN-UHFFFAOYSA-N
XLogP3.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
CID 82708510
1-(2-amino-4-bromoanilino)-3-chloropropan-2-ol
CID 170856792
2-(2-amino-4-nitroanilino)-1-phenylethanol
CID 62508279
4-bromo-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 55139207
2-(3-bromoanilino)-1-phenylethanol
CID 60719910
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-phenylethanol
CID 43498870
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
2-(2-amino-4-bromoanilino)acetic acid
CID 62253312
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
4-bromo-1-N-ethylbenzene-1,2-diamine
CID 11816737

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromoanilino)-1-phenylethanol?
The IUPAC name of 2-(2-amino-4-bromoanilino)-1-phenylethanol (CID 43498872) is 2-(2-amino-4-bromoanilino)-1-phenylethanol.
What is the SMILES notation for 2-(2-amino-4-bromoanilino)-1-phenylethanol?
The canonical SMILES for 2-(2-amino-4-bromoanilino)-1-phenylethanol is Nc1cc(Br)ccc1NCC(O)c1ccccc1.
What is the InChIKey of 2-(2-amino-4-bromoanilino)-1-phenylethanol?
The InChIKey is RAUHEEHVFZDMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9,16H2.
What are the key properties of 2-(2-amino-4-bromoanilino)-1-phenylethanol?
2-(2-amino-4-bromoanilino)-1-phenylethanol has a molecular weight of 307.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromoanilino)-1-phenylethanol is sourced from PubChem (CID 43498872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).