2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline

C14H23BrN2O — CID 82968759

IUPAC2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCOCCN(c1ccc(Br)cc1C(C)N)C(C)C
InChIInChI=1S/C14H23BrN2O/c1-10(2)17(7-8-18-4)14-6-5-12(15)9-13(14)11(3)16/h5-6,9-11H,7-8,16H2,1-4H3
InChIKeyPYWRZBCZFNWMJB-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.33
Rot. Bonds6

About 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline

2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline (PubChem CID 82968759) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
PubChem CID82968759
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCOCCN(c1ccc(Br)cc1C(C)N)C(C)C
InChIInChI=1S/C14H23BrN2O/c1-10(2)17(7-8-18-4)14-6-5-12(15)9-13(14)11(3)16/h5-6,9-11H,7-8,16H2,1-4H3
InChIKeyPYWRZBCZFNWMJB-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
CID 82971357
4-bromo-N-(2-methoxyethyl)-2-nitro-N-propan-2-ylaniline
CID 82959767
5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
CID 82956232
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005537
3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82948890
2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 103959097
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
(1S)-1-[3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950797
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968844
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 78935385
5-bromo-2-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005331

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The IUPAC name of 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline (CID 82968759) is 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The canonical SMILES for 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline is COCCN(c1ccc(Br)cc1C(C)N)C(C)C.
What is the InChIKey of 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The InChIKey is PYWRZBCZFNWMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-10(2)17(7-8-18-4)14-6-5-12(15)9-13(14)11(3)16/h5-6,9-11H,7-8,16H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline?
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline has a molecular weight of 315.26 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 82968759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).