N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride

C14H16Br2ClNO2 — CID 17158543

IUPACN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
SMILESCCOc1c(Br)cc(CNCc2ccco2)cc1Br.Cl
InChIInChI=1S/C14H15Br2NO2.ClH/c1-2-18-14-12(15)6-10(7-13(14)16)8-17-9-11-4-3-5-19-11;/h3-7,17H,2,8-9H2,1H3;1H
InChIKeyPTMMPHJUMDRBHO-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.91
Rot. Bonds6

About N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride

N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride (PubChem CID 17158543) has the molecular formula C14H16Br2ClNO2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
PubChem CID17158543
Molecular FormulaC14H16Br2ClNO2
Molecular Weight425.55 g/mol
Exact Mass422.92
IUPAC NameN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
SMILESCCOc1c(Br)cc(CNCc2ccco2)cc1Br.Cl
InChIInChI=1S/C14H15Br2NO2.ClH/c1-2-18-14-12(15)6-10(7-13(14)16)8-17-9-11-4-3-5-19-11;/h3-7,17H,2,8-9H2,1H3;1H
InChIKeyPTMMPHJUMDRBHO-UHFFFAOYSA-N
XLogP4.91
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 17158546
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 78902256
N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 6462040
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 17213414
N-[[3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17057441
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17155625
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156933
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride (CID 17158543) is N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride is CCOc1c(Br)cc(CNCc2ccco2)cc1Br.Cl.
What is the InChIKey of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride?
The InChIKey is PTMMPHJUMDRBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO2.ClH/c1-2-18-14-12(15)6-10(7-13(14)16)8-17-9-11-4-3-5-19-11;/h3-7,17H,2,8-9H2,1H3;1H.
What are the key properties of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride?
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride has a molecular weight of 425.55 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 17158543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).