3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine

C18H18BrNO2 — CID 170878748

IUPAC3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(COc2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C18H18BrNO2/c19-15-5-3-14-11-17(6-4-13(14)10-15)21-12-18-8-7-16(22-18)2-1-9-20/h3-8,10-11H,1-2,9,12,20H2
InChIKeyIEMCMSFQBDMQQT-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.67
Rot. Bonds6

About 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine

3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine (PubChem CID 170878748) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine
PubChem CID170878748
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(COc2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C18H18BrNO2/c19-15-5-3-14-11-17(6-4-13(14)10-15)21-12-18-8-7-16(22-18)2-1-9-20/h3-8,10-11H,1-2,9,12,20H2
InChIKeyIEMCMSFQBDMQQT-UHFFFAOYSA-N
XLogP4.67
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]-1-cyclopropylprop-2-en-1-one
CID 19558908
3-[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl]propan-1-amine
CID 170878699
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63882074
2-bromo-6-phenylmethoxynaphthalene
CID 640595
[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-5-methylthiophen-2-yl]methanamine
CID 80723273
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine?
The IUPAC name of 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine (CID 170878748) is 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine is NCCCc1ccc(COc2ccc3cc(Br)ccc3c2)o1.
What is the InChIKey of 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine?
The InChIKey is IEMCMSFQBDMQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c19-15-5-3-14-11-17(6-4-13(14)10-15)21-12-18-8-7-16(22-18)2-1-9-20/h3-8,10-11H,1-2,9,12,20H2.
What are the key properties of 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine?
3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine has a molecular weight of 360.25 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine is sourced from PubChem (CID 170878748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).