N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine

C14H23BrN2O — CID 106889430

IUPACN-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCCN(C)C1c1occc1Br
InChIInChI=1S/C14H23BrN2O/c1-3-16-10-11-6-4-5-8-17(2)13(11)14-12(15)7-9-18-14/h7,9,11,13,16H,3-6,8,10H2,1-2H3
InChIKeyYAKSTGRCYLEFRU-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.42
Rot. Bonds4

About N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine

N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine (PubChem CID 106889430) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
PubChem CID106889430
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC NameN-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCCN(C)C1c1occc1Br
InChIInChI=1S/C14H23BrN2O/c1-3-16-10-11-6-4-5-8-17(2)13(11)14-12(15)7-9-18-14/h7,9,11,13,16H,3-6,8,10H2,1-2H3
InChIKeyYAKSTGRCYLEFRU-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 81032684
2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine
CID 106889460
N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine
CID 66159561
N-[[2-(5-chloro-2-fluorophenyl)-1-methylazepan-3-yl]methyl]ethanamine
CID 114866623
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
CID 81033199
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 106889418
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]ethanamine
CID 103573230
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]ethanamine
CID 66523440
2-(3-bromofuran-2-yl)-1-cyclopropylpiperidin-3-amine
CID 106889465
2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 63942073

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine (CID 106889430) is N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine is CCNCC1CCCCN(C)C1c1occc1Br.
What is the InChIKey of N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine?
The InChIKey is YAKSTGRCYLEFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-3-16-10-11-6-4-5-8-17(2)13(11)14-12(15)7-9-18-14/h7,9,11,13,16H,3-6,8,10H2,1-2H3.
What are the key properties of N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine?
N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine has a molecular weight of 315.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine is sourced from PubChem (CID 106889430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).