1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C14H18BrN3O — CID 54945007

IUPAC1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccncc1)C(CN)c1ccc(Br)o1
InChIInChI=1S/C14H18BrN3O/c1-18(9-6-11-4-7-17-8-5-11)12(10-16)13-2-3-14(15)19-13/h2-5,7-8,12H,6,9-10,16H2,1H3
InChIKeyFHNHWNBHSUXKMP-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.61
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 54945007) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID54945007
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccncc1)C(CN)c1ccc(Br)o1
InChIInChI=1S/C14H18BrN3O/c1-18(9-6-11-4-7-17-8-5-11)12(10-16)13-2-3-14(15)19-13/h2-5,7-8,12H,6,9-10,16H2,1H3
InChIKeyFHNHWNBHSUXKMP-UHFFFAOYSA-N
XLogP2.61
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 54945196
1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60915259
1-(5-bromofuran-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526191
1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 16781258
1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417281
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 82835297
1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484872
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
CID 55213835
1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16783175
1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65483708
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 54945007) is 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine is CN(CCc1ccncc1)C(CN)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is FHNHWNBHSUXKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-18(9-6-11-4-7-17-8-5-11)12(10-16)13-2-3-14(15)19-13/h2-5,7-8,12H,6,9-10,16H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 324.22 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 54945007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).