N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine

C17H23BrN2O — CID 62462712

IUPACN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)Cc2cccc(Br)c2)o1
InChIInChI=1S/C17H23BrN2O/c1-13(2)19-10-16-7-8-17(21-16)12-20(3)11-14-5-4-6-15(18)9-14/h4-9,13,19H,10-12H2,1-3H3
InChIKeyIPLJMBKTTXARSD-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.17
Rot. Bonds7

About N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62462712) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62462712
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC NameN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)Cc2cccc(Br)c2)o1
InChIInChI=1S/C17H23BrN2O/c1-13(2)19-10-16-7-8-17(21-16)12-20(3)11-14-5-4-6-15(18)9-14/h4-9,13,19H,10-12H2,1-3H3
InChIKeyIPLJMBKTTXARSD-UHFFFAOYSA-N
XLogP4.17
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62431328
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62462530
N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 61041591
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432829
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62463600
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine (CID 62462712) is N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN(C)Cc2cccc(Br)c2)o1.
What is the InChIKey of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is IPLJMBKTTXARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-13(2)19-10-16-7-8-17(21-16)12-20(3)11-14-5-4-6-15(18)9-14/h4-9,13,19H,10-12H2,1-3H3.
What are the key properties of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 351.29 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62462712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).