2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol

C17H20BrNO — CID 86942997

IUPAC2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
SMILESOCCN(CCc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c18-17-8-6-16(7-9-17)14-19(12-13-20)11-10-15-4-2-1-3-5-15/h1-9,20H,10-14H2
InChIKeyBKOWWNCWLDVKND-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.49
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol

2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol (PubChem CID 86942997) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
PubChem CID86942997
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
SMILESOCCN(CCc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c18-17-8-6-16(7-9-17)14-19(12-13-20)11-10-15-4-2-1-3-5-15/h1-9,20H,10-14H2
InChIKeyBKOWWNCWLDVKND-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol
CID 24822638
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
CID 115610793

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol?
The IUPAC name of 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol (CID 86942997) is 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol is OCCN(CCc1ccccc1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol?
The InChIKey is BKOWWNCWLDVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c18-17-8-6-16(7-9-17)14-19(12-13-20)11-10-15-4-2-1-3-5-15/h1-9,20H,10-14H2.
What are the key properties of 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol?
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol has a molecular weight of 334.26 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol is sourced from PubChem (CID 86942997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).