N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

C16H17Br2NO2 — CID 64712809

IUPACN-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COc2ccc(Br)cc2Br)cc1CNC1CC1
InChIInChI=1S/C16H17Br2NO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-5-2-12(17)7-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyYJRKSAIHEJXEGH-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.94
Rot. Bonds6

About N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 64712809) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID64712809
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC NameN-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COc2ccc(Br)cc2Br)cc1CNC1CC1
InChIInChI=1S/C16H17Br2NO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-5-2-12(17)7-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyYJRKSAIHEJXEGH-UHFFFAOYSA-N
XLogP4.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62460346
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62484961
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 114676891
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669
N-[[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63498771
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908411
N-[[5-(furan-2-ylmethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446362
N-[[4-[(3,4-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62486306

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 64712809) is N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1oc(COc2ccc(Br)cc2Br)cc1CNC1CC1.
What is the InChIKey of N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is YJRKSAIHEJXEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-5-2-12(17)7-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3.
What are the key properties of N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 415.13 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64712809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).