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

C17H22BrNO2 — CID 83138171

IUPACN-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(OCc2ccc(CNC(C)(C)C)o2)ccc1Br
InChIInChI=1S/C17H22BrNO2/c1-12-9-13(7-8-16(12)18)20-11-15-6-5-14(21-15)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3
InChIKeyGEJVJYYFUJWTTM-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.82
Rot. Bonds5

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

N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 83138171) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID83138171
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(OCc2ccc(CNC(C)(C)C)o2)ccc1Br
InChIInChI=1S/C17H22BrNO2/c1-12-9-13(7-8-16(12)18)20-11-15-6-5-14(21-15)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3
InChIKeyGEJVJYYFUJWTTM-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

[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 83140591
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470
N-[[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 83134665
N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 66226145
2-[(4-bromo-3-methylphenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 83133606
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 65200963
N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460827
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076921
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
N-[[4-[(3-bromophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63498051

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 83138171) is N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is Cc1cc(OCc2ccc(CNC(C)(C)C)o2)ccc1Br.
What is the InChIKey of N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GEJVJYYFUJWTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-12-9-13(7-8-16(12)18)20-11-15-6-5-14(21-15)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3.
What are the key properties of N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-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-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83138171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).