N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

C17H22BrNO2 — CID 62460696

IUPACN-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(OCc2cc(CNC(C)(C)C)co2)c(Br)c1
InChIInChI=1S/C17H22BrNO2/c1-12-5-6-16(15(18)7-12)21-11-14-8-13(10-20-14)9-19-17(2,3)4/h5-8,10,19H,9,11H2,1-4H3
InChIKeyKFODUNUQLOJRMV-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.82
Rot. Bonds5

About N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62460696) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62460696
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(OCc2cc(CNC(C)(C)C)co2)c(Br)c1
InChIInChI=1S/C17H22BrNO2/c1-12-5-6-16(15(18)7-12)21-11-14-8-13(10-20-14)9-19-17(2,3)4/h5-8,10,19H,9,11H2,1-4H3
InChIKeyKFODUNUQLOJRMV-UHFFFAOYSA-N
XLogP4.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62485139
N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62452933
N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62454677
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63497529
N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62449573
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62460344
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
N-[[3-bromo-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63062502

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (CID 62460696) is N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(OCc2cc(CNC(C)(C)C)co2)c(Br)c1.
What is the InChIKey of N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KFODUNUQLOJRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-12-5-6-16(15(18)7-12)21-11-14-8-13(10-20-14)9-19-17(2,3)4/h5-8,10,19H,9,11H2,1-4H3.
What are the key properties of N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 352.27 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62460696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).