N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

C17H20BrNO2 — CID 62460346

IUPACN-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2cc(CNC3CC3)c(C)o2)c(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-11-3-6-17(16(18)7-11)20-10-15-8-13(12(2)21-15)9-19-14-4-5-14/h3,6-8,14,19H,4-5,9-10H2,1-2H3
InChIKeyHDBFMWICBWEWKS-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.49
Rot. Bonds6

About N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 62460346) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID62460346
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2cc(CNC3CC3)c(C)o2)c(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-11-3-6-17(16(18)7-11)20-10-15-8-13(12(2)21-15)9-19-14-4-5-14/h3,6-8,14,19H,4-5,9-10H2,1-2H3
InChIKeyHDBFMWICBWEWKS-UHFFFAOYSA-N
XLogP4.49
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 64712809
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62484961
N-[[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63498771
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62460704
N-[[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83188048
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077
N-[[5-[(2-bromo-4-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62460702
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 114676891
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 62460346) is N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1ccc(OCc2cc(CNC3CC3)c(C)o2)c(Br)c1.
What is the InChIKey of N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is HDBFMWICBWEWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-3-6-17(16(18)7-11)20-10-15-8-13(12(2)21-15)9-19-14-4-5-14/h3,6-8,14,19H,4-5,9-10H2,1-2H3.
What are the key properties of N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 350.26 g/mol, XLogP of 4.49, 6 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]-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62460346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).