N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine

C17H22BrNO2 — CID 62460704

IUPACN-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cc(CNC(C)C)oc2C)c(Br)c1
InChIInChI=1S/C17H22BrNO2/c1-11(2)19-9-15-8-14(13(4)21-15)10-20-17-6-5-12(3)7-16(17)18/h5-8,11,19H,9-10H2,1-4H3
InChIKeyYYVYWGBGQHLZBZ-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.74
Rot. Bonds6

About N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine

N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 62460704) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID62460704
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cc(CNC(C)C)oc2C)c(Br)c1
InChIInChI=1S/C17H22BrNO2/c1-11(2)19-9-15-8-14(13(4)21-15)10-20-17-6-5-12(3)7-16(17)18/h5-8,11,19H,9-10H2,1-4H3
InChIKeyYYVYWGBGQHLZBZ-UHFFFAOYSA-N
XLogP4.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-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

N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62460346
N-[[4-[(3,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 63496300
N-[[5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 114676848
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62443740
1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 107661115
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 63486928
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63497884
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300
N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63647388
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine (CID 62460704) is N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is Cc1ccc(OCc2cc(CNC(C)C)oc2C)c(Br)c1.
What is the InChIKey of N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is YYVYWGBGQHLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-11(2)19-9-15-8-14(13(4)21-15)10-20-17-6-5-12(3)7-16(17)18/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine?
N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 352.27 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62460704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).