2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine

C12H18BrNO — CID 62107661

IUPAC2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNCC(OC(C)C)c1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-9(2)15-12(8-14-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3
InChIKeyLXDCCXZDHIOGAX-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine

2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 62107661) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID62107661
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNCC(OC(C)C)c1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-9(2)15-12(8-14-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3
InChIKeyLXDCCXZDHIOGAX-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine 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

2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
CID 64732436
2-(2-bromophenyl)-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 62109237
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
2-(2-bromophenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792734
N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102984669
2-(2-bromophenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103490191
N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 63473525
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine (CID 62107661) is 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine is CNCC(OC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is LXDCCXZDHIOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9(2)15-12(8-14-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine?
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 272.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 62107661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).