4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline

C14H23BrN2 — CID 114068934

IUPAC4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline
SMILESCCC(C)N(CC)c1ccc(C(C)N)c(Br)c1
InChIInChI=1S/C14H23BrN2/c1-5-10(3)17(6-2)12-7-8-13(11(4)16)14(15)9-12/h7-11H,5-6,16H2,1-4H3
InChIKeyFOOUOPKHEVMHDX-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.09
Rot. Bonds5

About 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline

4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline (PubChem CID 114068934) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline
PubChem CID114068934
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline
SMILESCCC(C)N(CC)c1ccc(C(C)N)c(Br)c1
InChIInChI=1S/C14H23BrN2/c1-5-10(3)17(6-2)12-7-8-13(11(4)16)14(15)9-12/h7-11H,5-6,16H2,1-4H3
InChIKeyFOOUOPKHEVMHDX-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline 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

1-[2-bromo-4-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 114069658
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
3-N-butan-2-yl-3-N-ethylbenzene-1,3-diamine
CID 43274249
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 114069423
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
2-(1-aminoethyl)-5-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 82968396
4-[butan-2-yl(ethyl)amino]-2-methylbenzaldehyde
CID 62135587
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
(1S)-1-[2-bromo-4-(trifluoromethyl)phenyl]ethanamine
CID 131172048
6-[butan-2-yl(ethyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309591

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline?
The IUPAC name of 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline (CID 114068934) is 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline?
The canonical SMILES for 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline is CCC(C)N(CC)c1ccc(C(C)N)c(Br)c1.
What is the InChIKey of 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline?
The InChIKey is FOOUOPKHEVMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-5-10(3)17(6-2)12-7-8-13(11(4)16)14(15)9-12/h7-11H,5-6,16H2,1-4H3.
What are the key properties of 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline?
4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline has a molecular weight of 299.26 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline is sourced from PubChem (CID 114068934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).