N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine

C17H22BrNO2 — CID 115402761

IUPACN-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1ccc(Br)cc1C(C)C
InChIInChI=1S/C17H22BrNO2/c1-4-19-10-13-7-8-20-17(13)11-21-16-6-5-14(18)9-15(16)12(2)3/h5-9,12,19H,4,10-11H2,1-3H3
InChIKeyHQFMYIAONNPRMN-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.85
Rot. Bonds7

About N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine

N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 115402761) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
PubChem CID115402761
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1ccc(Br)cc1C(C)C
InChIInChI=1S/C17H22BrNO2/c1-4-19-10-13-7-8-20-17(13)11-21-16-6-5-14(18)9-15(16)12(2)3/h5-9,12,19H,4,10-11H2,1-3H3
InChIKeyHQFMYIAONNPRMN-UHFFFAOYSA-N
XLogP4.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine 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-[[2-[(2,4-dibromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64712467
2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-carboxylic acid
CID 115401481
N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62449654
N-[[2-[(4-bromo-2-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 63496103
N-[[2-[(2,5-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 63273237
N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452007
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559151
N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62485295
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453896
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine (CID 115402761) is N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1COc1ccc(Br)cc1C(C)C.
What is the InChIKey of N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is HQFMYIAONNPRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-4-19-10-13-7-8-20-17(13)11-21-16-6-5-14(18)9-15(16)12(2)3/h5-9,12,19H,4,10-11H2,1-3H3.
What are the key properties of N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 352.27 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 115402761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).