1-(3-bromophenyl)-2-(dipropylamino)ethanol

C14H22BrNO — CID 82216690

IUPAC1-(3-bromophenyl)-2-(dipropylamino)ethanol
SMILESCCCN(CCC)CC(O)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-3-8-16(9-4-2)11-14(17)12-6-5-7-13(15)10-12/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3
InChIKeyLTNCDNCNOQRFLS-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.60
Rot. Bonds7

About 1-(3-bromophenyl)-2-(dipropylamino)ethanol

1-(3-bromophenyl)-2-(dipropylamino)ethanol (PubChem CID 82216690) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(dipropylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(dipropylamino)ethanol
PubChem CID82216690
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(3-bromophenyl)-2-(dipropylamino)ethanol
SMILESCCCN(CCC)CC(O)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-3-8-16(9-4-2)11-14(17)12-6-5-7-13(15)10-12/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3
InChIKeyLTNCDNCNOQRFLS-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-2-(dipropylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
CID 82216688
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
4-[2-[bis[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 54261820
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
2-(dipropylamino)-1-(4-phenylphenyl)ethanol
CID 82215884
1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol
CID 79490998
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
CID 103191448

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(dipropylamino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(dipropylamino)ethanol (CID 82216690) is 1-(3-bromophenyl)-2-(dipropylamino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(dipropylamino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(dipropylamino)ethanol is CCCN(CCC)CC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(dipropylamino)ethanol?
The InChIKey is LTNCDNCNOQRFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-8-16(9-4-2)11-14(17)12-6-5-7-13(15)10-12/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(dipropylamino)ethanol?
1-(3-bromophenyl)-2-(dipropylamino)ethanol has a molecular weight of 300.24 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(dipropylamino)ethanol is sourced from PubChem (CID 82216690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).