2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol

C16H18BrNO — CID 91423309

IUPAC2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol
SMILESCC(NC(O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H18BrNO/c1-12(14-5-3-2-4-6-14)18-16(19)11-13-7-9-15(17)10-8-13/h2-10,12,16,18-19H,11H2,1H3
InChIKeyNHMSQFHOQQHXNL-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.66
Rot. Bonds5

About 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol

2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol (PubChem CID 91423309) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol
PubChem CID91423309
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol
SMILESCC(NC(O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H18BrNO/c1-12(14-5-3-2-4-6-14)18-16(19)11-13-7-9-15(17)10-8-13/h2-10,12,16,18-19H,11H2,1H3
InChIKeyNHMSQFHOQQHXNL-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene
CID 113460202
1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
CID 114977568
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol (CID 91423309) is 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol is CC(NC(O)Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol?
The InChIKey is NHMSQFHOQQHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(14-5-3-2-4-6-14)18-16(19)11-13-7-9-15(17)10-8-13/h2-10,12,16,18-19H,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol?
2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol has a molecular weight of 320.23 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol is sourced from PubChem (CID 91423309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).