N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine

C15H23BrClNO2 — CID 2935222

IUPACN-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCCOc1c(Cl)cc(C)cc1Br
InChIInChI=1S/C15H23BrClNO2/c1-4-12(3)18-5-6-19-7-8-20-15-13(16)9-11(2)10-14(15)17/h9-10,12,18H,4-8H2,1-3H3
InChIKeyYRPBCCVACWCOGC-UHFFFAOYSA-N
MW364.71 g/mol
LogP4.19
Rot. Bonds9

About N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine

N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine (PubChem CID 2935222) has the molecular formula C15H23BrClNO2 and a molecular weight of 364.71 g/mol. Its IUPAC name is N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
PubChem CID2935222
Molecular FormulaC15H23BrClNO2
Molecular Weight364.71 g/mol
Exact Mass363.06
IUPAC NameN-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCCOc1c(Cl)cc(C)cc1Br
InChIInChI=1S/C15H23BrClNO2/c1-4-12(3)18-5-6-19-7-8-20-15-13(16)9-11(2)10-14(15)17/h9-10,12,18H,4-8H2,1-3H3
InChIKeyYRPBCCVACWCOGC-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-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

(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2184444
(2R)-N-[3-(2-bromo-4,6-dimethylphenoxy)propyl]butan-2-amine
CID 2181907
2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2184438
N-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935653
N-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]butan-2-amine;oxalic acid
CID 2936079
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
CID 2935622
2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine
CID 84711241
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280812
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
CID 2934297
4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2299297

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine?
The IUPAC name of N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine (CID 2935222) is N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine is CCC(C)NCCOCCOc1c(Cl)cc(C)cc1Br.
What is the InChIKey of N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine?
The InChIKey is YRPBCCVACWCOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNO2/c1-4-12(3)18-5-6-19-7-8-20-15-13(16)9-11(2)10-14(15)17/h9-10,12,18H,4-8H2,1-3H3.
What are the key properties of N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine?
N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine has a molecular weight of 364.71 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine is sourced from PubChem (CID 2935222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).