N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine

C15H23Br2NO — CID 63505607

IUPACN-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCOc1c(Br)cccc1Br
InChIInChI=1S/C15H23Br2NO/c1-11(2)7-8-12(3)18-9-10-19-15-13(16)5-4-6-14(15)17/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyNEPCIFLYAFLKCP-UHFFFAOYSA-N
MW393.16 g/mol
LogP5.00
Rot. Bonds8

About N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine

N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine (PubChem CID 63505607) has the molecular formula C15H23Br2NO and a molecular weight of 393.16 g/mol. Its IUPAC name is N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine
PubChem CID63505607
Molecular FormulaC15H23Br2NO
Molecular Weight393.16 g/mol
Exact Mass391.01
IUPAC NameN-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCOc1c(Br)cccc1Br
InChIInChI=1S/C15H23Br2NO/c1-11(2)7-8-12(3)18-9-10-19-15-13(16)5-4-6-14(15)17/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyNEPCIFLYAFLKCP-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.16
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-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

5-methyl-N-(2-naphthalen-1-yloxyethyl)hexan-2-amine
CID 63505261
N-[2-(4-bromo-2-chloro-6-methylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63515570
5-methyl-N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-2-amine
CID 62582877
5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
CID 55245786
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylpropan-2-amine
CID 61385418
3-[2-(5-methylhexan-2-ylamino)ethoxy]benzoic acid
CID 103252192
N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine
CID 63506495
N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
CID 62599636
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
N-[[3-bromo-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 61483984
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63504935

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine (CID 63505607) is N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCCOc1c(Br)cccc1Br.
What is the InChIKey of N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine?
The InChIKey is NEPCIFLYAFLKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2NO/c1-11(2)7-8-12(3)18-9-10-19-15-13(16)5-4-6-14(15)17/h4-6,11-12,18H,7-10H2,1-3H3.
What are the key properties of N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine?
N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine has a molecular weight of 393.16 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 63505607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).