N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine

C12H17Br2NO — CID 115693242

IUPACN-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-3-16-9(2)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyFSULTGKKDUBPFN-UHFFFAOYSA-N
MW351.08 g/mol
LogP3.73
Rot. Bonds6

About N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine

N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine (PubChem CID 115693242) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
PubChem CID115693242
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC NameN-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-3-16-9(2)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyFSULTGKKDUBPFN-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-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

N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine
CID 115668244
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757568
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
2-ethoxy-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102911958
2-bromo-4-[(2-prop-2-enoxypropylamino)methyl]phenol
CID 114264659
2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378678
2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 115655586
4-bromo-2-[(2-ethoxypropylamino)methyl]phenol
CID 115655656
2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine
CID 115655578

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine (CID 115693242) is N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine is CCOC(C)CNCc1ccc(Br)c(Br)c1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine?
The InChIKey is FSULTGKKDUBPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-3-16-9(2)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine?
N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine has a molecular weight of 351.08 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine is sourced from PubChem (CID 115693242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).