4-(1-aminoethyl)-2-bromo-N,N-diethylaniline

C12H19BrN2 — CID 62909492

IUPAC4-(1-aminoethyl)-2-bromo-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(C)N)cc1Br
InChIInChI=1S/C12H19BrN2/c1-4-15(5-2)12-7-6-10(9(3)14)8-11(12)13/h6-9H,4-5,14H2,1-3H3
InChIKeyFCRASMHQYYAVCL-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.32
Rot. Bonds4

About 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline

4-(1-aminoethyl)-2-bromo-N,N-diethylaniline (PubChem CID 62909492) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-bromo-N,N-diethylaniline
PubChem CID62909492
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name4-(1-aminoethyl)-2-bromo-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(C)N)cc1Br
InChIInChI=1S/C12H19BrN2/c1-4-15(5-2)12-7-6-10(9(3)14)8-11(12)13/h6-9H,4-5,14H2,1-3H3
InChIKeyFCRASMHQYYAVCL-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-2-bromo-N,N-diethylaniline
CID 63368146
4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79477246
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79476860
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 62911180
N'-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994147
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147
4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
CID 62908844
2-N-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189362
4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline
CID 55191001
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
CID 78944318
4-[(1R)-1-aminoethyl]-2-bromo-N-butan-2-yl-N-butylaniline
CID 78944493
2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
CID 62909377

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline (CID 62909492) is 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline is CCN(CC)c1ccc(C(C)N)cc1Br.
What is the InChIKey of 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline?
The InChIKey is FCRASMHQYYAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-4-15(5-2)12-7-6-10(9(3)14)8-11(12)13/h6-9H,4-5,14H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline?
4-(1-aminoethyl)-2-bromo-N,N-diethylaniline has a molecular weight of 271.20 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-bromo-N,N-diethylaniline is sourced from PubChem (CID 62909492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).