4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide

C19H25BrN2O2 — CID 173443501

IUPAC4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide
SMILESBr.C[C@H](CCNCC(O)c1ccccc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H24N2O2.BrH/c1-14(15-7-9-17(10-8-15)19(20)23)11-12-21-13-18(22)16-5-3-2-4-6-16;/h2-10,14,18,21-22H,11-13H2,1H3,(H2,20,23);1H/t14-,18?;/m1./s1
InChIKeyNKHYMDPQZOKCKT-BSOSYTQUSA-N
MW393.33 g/mol
LogP3.18
Rot. Bonds8

About 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide

4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide (PubChem CID 173443501) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide.

Molecular Properties

Compound Name4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide
PubChem CID173443501
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Name4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide
SMILESBr.C[C@H](CCNCC(O)c1ccccc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H24N2O2.BrH/c1-14(15-7-9-17(10-8-15)19(20)23)11-12-21-13-18(22)16-5-3-2-4-6-16;/h2-10,14,18,21-22H,11-13H2,1H3,(H2,20,23);1H/t14-,18?;/m1./s1
InChIKeyNKHYMDPQZOKCKT-BSOSYTQUSA-N
XLogP3.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzoate;hydrochloride
CID 173443567
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
4-(1-hydroxypropyl)benzamide
CID 118219631
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
N-(3-phenylbutyl)benzamide
CID 62403316
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide?
The IUPAC name of 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide (CID 173443501) is 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide.
What is the SMILES notation for 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide?
The canonical SMILES for 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide is Br.C[C@H](CCNCC(O)c1ccccc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide?
The InChIKey is NKHYMDPQZOKCKT-BSOSYTQUSA-N. The full InChI is InChI=1S/C19H24N2O2.BrH/c1-14(15-7-9-17(10-8-15)19(20)23)11-12-21-13-18(22)16-5-3-2-4-6-16;/h2-10,14,18,21-22H,11-13H2,1H3,(H2,20,23);1H/t14-,18?;/m1./s1.
What are the key properties of 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide?
4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide has a molecular weight of 393.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-[(2-hydroxy-2-phenylethyl)amino]butan-2-yl]benzamide;hydrobromide is sourced from PubChem (CID 173443501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).