(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol

C19H24BrNO2 — CID 67185451

IUPAC(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol
SMILESCOC[C@](O)(CCNCCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H24BrNO2/c1-23-15-19(22,17-5-3-2-4-6-17)12-14-21-13-11-16-7-9-18(20)10-8-16/h2-10,21-22H,11-15H2,1H3/t19-/m1/s1
InChIKeyZGZAQYNGQPCFTB-LJQANCHMSA-N
MW378.31 g/mol
LogP3.51
Rot. Bonds9

About (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol

(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol (PubChem CID 67185451) has the molecular formula C19H24BrNO2 and a molecular weight of 378.31 g/mol. Its IUPAC name is (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol
PubChem CID67185451
Molecular FormulaC19H24BrNO2
Molecular Weight378.31 g/mol
Exact Mass377.10
IUPAC Name(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol
SMILESCOC[C@](O)(CCNCCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H24BrNO2/c1-23-15-19(22,17-5-3-2-4-6-17)12-14-21-13-11-16-7-9-18(20)10-8-16/h2-10,21-22H,11-15H2,1H3/t19-/m1/s1
InChIKeyZGZAQYNGQPCFTB-LJQANCHMSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-phenylpentan-2-ol
CID 79566426
4-amino-1-[(4-bromophenyl)methoxy]-2-phenylbutan-2-ol
CID 11581094
1-methoxy-2-phenylheptan-2-ol
CID 103465294
1-(4-bromophenyl)-2-phenylpentan-2-ol
CID 60797698
4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
CID 106590643
1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465726
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
CID 103466071
1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465180
N-(2-methoxyethyl)-2-(4-phenylphenyl)ethanamine
CID 64866230
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 68882931
1-(2-methoxyethylamino)-3-methyl-6-phenylhexan-3-ol
CID 66002686
N-(methoxymethyl)-2-(4-phenylphenyl)ethanamine
CID 115258845

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol?
The IUPAC name of (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol (CID 67185451) is (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol.
What is the SMILES notation for (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol?
The canonical SMILES for (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol is COC[C@](O)(CCNCCc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol?
The InChIKey is ZGZAQYNGQPCFTB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24BrNO2/c1-23-15-19(22,17-5-3-2-4-6-17)12-14-21-13-11-16-7-9-18(20)10-8-16/h2-10,21-22H,11-15H2,1H3/t19-/m1/s1.
What are the key properties of (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol?
(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol has a molecular weight of 378.31 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol is sourced from PubChem (CID 67185451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).