2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol

C14H23BrN2O — CID 82968844

IUPAC2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
SMILESCNC(C)c1cc(Br)ccc1N(CCO)C(C)C
InChIInChI=1S/C14H23BrN2O/c1-10(2)17(7-8-18)14-6-5-12(15)9-13(14)11(3)16-4/h5-6,9-11,16,18H,7-8H2,1-4H3
InChIKeyJXXYDZYRIVLRFO-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.94
Rot. Bonds6

About 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol

2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol (PubChem CID 82968844) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
PubChem CID82968844
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
SMILESCNC(C)c1cc(Br)ccc1N(CCO)C(C)C
InChIInChI=1S/C14H23BrN2O/c1-10(2)17(7-8-18)14-6-5-12(15)9-13(14)11(3)16-4/h5-6,9-11,16,18H,7-8H2,1-4H3
InChIKeyJXXYDZYRIVLRFO-UHFFFAOYSA-N
XLogP2.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]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

3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968775
2-[5-bromo-N-propan-2-yl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82968704
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 82968195
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82968759
3-[4-bromo-N-ethyl-2-[1-(methylamino)ethyl]anilino]propanenitrile
CID 82968144
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
CID 82972017
[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
CID 84802533
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 82968573
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82968938

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol (CID 82968844) is 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol is CNC(C)c1cc(Br)ccc1N(CCO)C(C)C.
What is the InChIKey of 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol?
The InChIKey is JXXYDZYRIVLRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-10(2)17(7-8-18)14-6-5-12(15)9-13(14)11(3)16-4/h5-6,9-11,16,18H,7-8H2,1-4H3.
What are the key properties of 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol?
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol has a molecular weight of 315.26 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol is sourced from PubChem (CID 82968844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).