2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline

C12H19BrN2O — CID 82971357

IUPAC2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
SMILESCOCCN(C)c1ccc(Br)cc1C(C)N
InChIInChI=1S/C12H19BrN2O/c1-9(14)11-8-10(13)4-5-12(11)15(2)6-7-16-3/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyCLUUMFMSXNTJHK-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.55
Rot. Bonds5

About 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline

2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline (PubChem CID 82971357) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
PubChem CID82971357
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
SMILESCOCCN(C)c1ccc(Br)cc1C(C)N
InChIInChI=1S/C12H19BrN2O/c1-9(14)11-8-10(13)4-5-12(11)15(2)6-7-16-3/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyCLUUMFMSXNTJHK-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82968759
2-(1-aminoethyl)-4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylaniline
CID 82968262
2-(1-aminoethyl)-4-bromo-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 82956592
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82971650
4-bromo-2-[1-(ethylamino)ethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 82967945
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
1-[4-bromo-2-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 82971014
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968527
5-bromo-N-(2-methoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 55146082

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline?
The IUPAC name of 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline (CID 82971357) is 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline?
The canonical SMILES for 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline is COCCN(C)c1ccc(Br)cc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline?
The InChIKey is CLUUMFMSXNTJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-9(14)11-8-10(13)4-5-12(11)15(2)6-7-16-3/h4-5,8-9H,6-7,14H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline?
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline has a molecular weight of 287.20 g/mol, XLogP of 2.55, 5 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-methylaniline is sourced from PubChem (CID 82971357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).