N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine

C15H21Br2NO — CID 112620477

IUPACN-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Br)COc1c(C)cc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C15H21Br2NO/c1-10-6-13(17)7-12(8-18-15(3,4)5)14(10)19-9-11(2)16/h6-7,18H,2,8-9H2,1,3-5H3
InChIKeyFXXCIKXWOCBFRU-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.93
Rot. Bonds5

About N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 112620477) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID112620477
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC NameN-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Br)COc1c(C)cc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C15H21Br2NO/c1-10-6-13(17)7-12(8-18-15(3,4)5)14(10)19-9-11(2)16/h6-7,18H,2,8-9H2,1,3-5H3
InChIKeyFXXCIKXWOCBFRU-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-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-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 115961722
N-[[5-bromo-3-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115961693
2-[4-bromo-2-[(tert-butylamino)methyl]-6-methylphenoxy]butanoic acid
CID 115961702
1-[5-bromo-3-methyl-2-(3-methylbut-3-enoxy)phenyl]-N-methylmethanamine
CID 114471749
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
N-[[5-bromo-3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]-2-methoxyethanamine
CID 115961747
1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
CID 15454074
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 112620028
2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene
CID 130642496
N-[[5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]ethanamine
CID 112620249
2-[4-bromo-2-methyl-6-(propylaminomethyl)phenoxy]acetamide
CID 112620264

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 112620477) is N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine is C=C(Br)COc1c(C)cc(Br)cc1CNC(C)(C)C.
What is the InChIKey of N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FXXCIKXWOCBFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-10-6-13(17)7-12(8-18-15(3,4)5)14(10)19-9-11(2)16/h6-7,18H,2,8-9H2,1,3-5H3.
What are the key properties of N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 391.15 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112620477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).