(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol

C18H22BrNO — CID 52535526

IUPAC(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
SMILESCCCN(Cc1ccccc1)C[C@H](O)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-2-11-20(13-15-7-4-3-5-8-15)14-18(21)16-9-6-10-17(19)12-16/h3-10,12,18,21H,2,11,13-14H2,1H3/t18-/m0/s1
InChIKeyQDCKNLCKXWVZTG-SFHVURJKSA-N
MW348.28 g/mol
LogP4.39
Rot. Bonds7

About (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol

(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol (PubChem CID 52535526) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
PubChem CID52535526
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
SMILESCCCN(Cc1ccccc1)C[C@H](O)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-2-11-20(13-15-7-4-3-5-8-15)14-18(21)16-9-6-10-17(19)12-16/h3-10,12,18,21H,2,11,13-14H2,1H3/t18-/m0/s1
InChIKeyQDCKNLCKXWVZTG-SFHVURJKSA-N
XLogP4.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol
CID 24822638
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
CID 82216688
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
4-[2-[bis[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 54261820
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
N,N-dibenzylpropan-1-amine
CID 10840212
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol?
The IUPAC name of (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol (CID 52535526) is (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol.
What is the SMILES notation for (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol?
The canonical SMILES for (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol is CCCN(Cc1ccccc1)C[C@H](O)c1cccc(Br)c1.
What is the InChIKey of (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol?
The InChIKey is QDCKNLCKXWVZTG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-2-11-20(13-15-7-4-3-5-8-15)14-18(21)16-9-6-10-17(19)12-16/h3-10,12,18,21H,2,11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol?
(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol has a molecular weight of 348.28 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 52535526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).