(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol

C23H23BrClNO — CID 24822638

IUPAC(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol
SMILESO[C@@H](CN(CCc1ccc(Br)cc1)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C23H23BrClNO/c24-21-11-9-18(10-12-21)13-14-26(16-19-5-2-1-3-6-19)17-23(27)20-7-4-8-22(25)15-20/h1-12,15,23,27H,13-14,16-17H2/t23-/m0/s1
InChIKeyZVUJQLOULPIDID-QHCPKHFHSA-N
MW444.80 g/mol
LogP5.88
Rot. Bonds8

About (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol

(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol (PubChem CID 24822638) has the molecular formula C23H23BrClNO and a molecular weight of 444.80 g/mol. Its IUPAC name is (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol
PubChem CID24822638
Molecular FormulaC23H23BrClNO
Molecular Weight444.80 g/mol
Exact Mass443.07
IUPAC Name(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol
SMILESO[C@@H](CN(CCc1ccc(Br)cc1)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C23H23BrClNO/c24-21-11-9-18(10-12-21)13-14-26(16-19-5-2-1-3-6-19)17-23(27)20-7-4-8-22(25)15-20/h1-12,15,23,27H,13-14,16-17H2/t23-/m0/s1
InChIKeyZVUJQLOULPIDID-QHCPKHFHSA-N
XLogP5.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.80
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
4-[2-[bis[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 54261820
2-(4-aminophenyl)ethyl-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamic acid
CID 69052441
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
2-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(4-chlorophenyl)ethanol
CID 21450201
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
2-(4-bromophenyl)ethyl N-tert-butyl-N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamate
CID 91503126
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 173340110
[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-[2-[4-(4-hydroxyphenyl)sulfanylphenyl]ethyl]carbamic acid
CID 69053548

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol?
The IUPAC name of (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol (CID 24822638) is (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol?
The canonical SMILES for (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol is O[C@@H](CN(CCc1ccc(Br)cc1)Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol?
The InChIKey is ZVUJQLOULPIDID-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23BrClNO/c24-21-11-9-18(10-12-21)13-14-26(16-19-5-2-1-3-6-19)17-23(27)20-7-4-8-22(25)15-20/h1-12,15,23,27H,13-14,16-17H2/t23-/m0/s1.
What are the key properties of (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol?
(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol has a molecular weight of 444.80 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 24822638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).