1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine

C13H20BrN — CID 114978438

IUPAC1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(C)ccc1Br)C(C)C
InChIInChI=1S/C13H20BrN/c1-5-15-13(9(2)3)11-8-10(4)6-7-12(11)14/h6-9,13,15H,5H2,1-4H3
InChIKeyQKGKVXHBCXQIAK-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine

1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 114978438) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID114978438
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(C)ccc1Br)C(C)C
InChIInChI=1S/C13H20BrN/c1-5-15-13(9(2)3)11-8-10(4)6-7-12(11)14/h6-9,13,15H,5H2,1-4H3
InChIKeyQKGKVXHBCXQIAK-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine 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-5-methylphenyl)-N,2-diethylbutan-1-amine
CID 105013849
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978545
1-(2-bromo-5-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834278
N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796785
N-[(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81110085
N-[(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 81110568
1-(2-bromo-3-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 107984697
1-(2-bromo-5-methylphenyl)-N-ethylpent-4-yn-1-amine
CID 115859283
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
N-[(3-bromo-4-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 81109551

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine (CID 114978438) is 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc(C)ccc1Br)C(C)C.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is QKGKVXHBCXQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-5-15-13(9(2)3)11-8-10(4)6-7-12(11)14/h6-9,13,15H,5H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine?
1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 114978438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).