N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine

C15H21BrN2OS — CID 62431328

IUPACN-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)Cc2cc(Br)cs2)o1
InChIInChI=1S/C15H21BrN2OS/c1-11(2)17-7-13-4-5-14(19-13)8-18(3)9-15-6-12(16)10-20-15/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyYUUKSZYFRBHCBR-UHFFFAOYSA-N
MW357.32 g/mol
LogP4.23
Rot. Bonds7

About N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62431328) has the molecular formula C15H21BrN2OS and a molecular weight of 357.32 g/mol. Its IUPAC name is N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62431328
Molecular FormulaC15H21BrN2OS
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC NameN-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)Cc2cc(Br)cs2)o1
InChIInChI=1S/C15H21BrN2OS/c1-11(2)17-7-13-4-5-14(19-13)8-18(3)9-15-6-12(16)10-20-15/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyYUUKSZYFRBHCBR-UHFFFAOYSA-N
XLogP4.23
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62462712
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431329
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80721333
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432829
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417034
N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63210843
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N-[[5-methyl-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62420025
N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79491008

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine (CID 62431328) is N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN(C)Cc2cc(Br)cs2)o1.
What is the InChIKey of N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is YUUKSZYFRBHCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2OS/c1-11(2)17-7-13-4-5-14(19-13)8-18(3)9-15-6-12(16)10-20-15/h4-6,10-11,17H,7-9H2,1-3H3.
What are the key properties of N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 357.32 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62431328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).